Cas no 138661-02-6 (2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid)
138661-02-6 structure
Product Name:2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid
CAS No:138661-02-6
MF:C63H87N13O19S2
MW:1394.57059311867
MDL:MFCD18251729
CID:144360
PubChem ID:165715153
Update Time:2025-04-19
2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid Chemical and Physical Properties
Names and Identifiers
-
- L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxym...
- L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-c
- L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydrox
- Pentetreotide
- [DTPA-D-Phe1]octreotide
- L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-,cyclic (3®
- L-Cysteinamide,N-[2-[[2-bis(carboxymethyl)amino]-ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-try
- N-(2-((2-(Bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (3-8)-disulfide
- Pentreotide
- L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-,cyclic (3®8)-disulfide
- 2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid
- L-Cysteinamide, N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (3-8)-disulfide, (R-,(R*,R*))-
- DTPA-SMS
- G083B71P98
- SDZ-215811
- SDZ 215-811s
- DTPA-octreotide
- UNII-G083B71P98
- PENTETOREOTIDE [JAN]
- PENTETREOTIDE [JAN]
- N-(2-((2-(Bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (3->8)-disulfide
- SDZ-215-811S
- SCHEMBL180440
- Q27278446
- (-)-pentetoreotide
- 111 In -pentetreotide
- PENTETREOTIDE [MI]
- DB12602
- Pentetreotide [INN:BAN]
- PENTETREOTIDE [INN]
- Sdz-215-811
- 138661-02-6
-
- MDL: MFCD18251729
- Inchi: 1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+/m1/s1
- InChI Key: CNLWNYCFDMAZCB-HUVROIHYSA-N
- SMILES: S1C[C@@H](C(N[C@@H](CC2C=CC=CC=2)C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](CO)[C@@H](C)O)=O)CS1)=O)[C@@H](C)O)=O)CCCCN)=O)CC1=CNC2C=CC=CC1=2)=O)=O)NC([C@@H](CC1C=CC=CC=1)NC(CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)=O)=O
Computed Properties
- Exact Mass: 1379.55000
- Monoisotopic Mass: 1393.568
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 17
- Hydrogen Bond Acceptor Count: 25
- Heavy Atom Count: 97
- Rotatable Bond Count: 34
- Complexity: 2590
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 1000
- XLogP3: -9.4
- Topological Polar Surface Area: 545A^2
Experimental Properties
- Density: 1.47
- Boiling Point: 1717.4°Cat760mmHg
- Flash Point: 992.4°C
- Refractive Index: 1.678
- PSA: 544.82000
- LogP: -0.27660
2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-20602858-0.05g |
2-{[2-({2-[({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)ethyl](carboxymethyl)amino}acetic acid |
138661-02-6 | 0.05g |
$2755.0 | 2023-09-16 |
2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
138661-02-6 (2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid) Related Products
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