Cas no 5854-98-8 (L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam)
![L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam structure](https://ossimg.kuujia.com/scimg/6000/5854-98-8x500.png)
5854-98-8 structure
Product Name:L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam
CAS No:5854-98-8
MF:C53H100N16O13
MW:1169.46051216125
CID:367614
PubChem ID:65155
Update Time:2024-02-29
L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam Chemical and Physical Properties
Names and Identifiers
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- circulin A
- L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobuta
- L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl
- L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®
- Isoleucinepolymyxin E1
- N2-(6-Methyl-1-oxooctyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-)
- N2-(6-Methyloctanoyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-)
- L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam
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- Inchi： 1S/C53H100N16O13/c1-9-29(5)13-11-12-14-40(72)60-33(15-21-54)48(77)69-43(32(8)71)53(82)65-36(18-24-57)45(74)63-38-20-26-59-51(80)42(31(7)70)68-49(78)37(19-25-58)62-44(73)35(17-23-56)64-52(81)41(30(6)10-2)67-50(79)39(27-28(3)4)66-46(75)34(16-22-55)61-47(38)76/h28-39,41-43,70-71H,9-27,54-58H2,1-8H3,(H,59,80)(H,60,72)(H,61,76)(H,62,73)(H,63,74)(H,64,81)(H,65,82)(H,66,75)(H,67,79)(H,68,78)(H,69,77)/t29?,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,41-,42-,43-/m0/s1
- InChI Key： CQLCVUOURZVYSE-PMXCNUABSA-N
- SMILES： [C@@H]1(CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC
Computed Properties
- Exact Mass: 1168.766
- Monoisotopic Mass: 1168.766
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 18
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 82
- Rotatable Bond Count: 29
- Complexity: 2070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 13
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 491A^2
- XLogP3: -2.8
Experimental Properties
- Density: 1.25
- Boiling Point: 1536.6°Cat760mmHg
- Flash Point: 883.1°C
- Refractive Index: 1.573
L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
5854-98-8 (L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam) Related Products
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