Cas no 42002-26-6 (Cyclo[(aS,2S)-a-amino-h-oxo-2-oxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-(2S)-2-piperidinecarbonyl])
![Cyclo[(aS,2S)-a-amino-h-oxo-2-oxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-(2S)-2-piperidinecarbonyl] structure](https://ossimg.kuujia.com/scimg/42500/42002-26-6x500.png)
42002-26-6 structure
Product Name:Cyclo[(aS,2S)-a-amino-h-oxo-2-oxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-(2S)-2-piperidinecarbonyl]
CAS No:42002-26-6
MF:C32H46N4O7
MW:598.73024892807
CID:331984
PubChem ID:162495
Update Time:2025-04-19
Cyclo[(aS,2S)-a-amino-h-oxo-2-oxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-(2S)-2-piperidinecarbonyl] Chemical and Physical Properties
Names and Identifiers
-
- Cyclo[(aS,2S)-a-amino-h-oxo-2-oxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-(2S)-2-piperidinecarbonyl]
- Cyl-2
- DTXSID50962149
- 42002-26-6
- Cyclo(O-methyltyrosine-L-isoleucine-L-pipecolic acid-2-amino-8-oxo-9,10-epoxydecanoic acid)
- 9-(Butan-2-yl)-1,4,7-trihydroxy-6-[(4-methoxyphenyl)methyl]-3-[6-(oxiran-2-yl)-6-oxohexyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one
- Cyclic(eta-oxo-alpha-aminooxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-L-2-piperidinecarbonyl)
-
- Inchi： 1S/C32H46N4O7/c1-4-20(2)28-32(41)36-17-9-8-11-25(36)31(40)33-23(10-6-5-7-12-26(37)27-19-43-27)29(38)34-24(30(39)35-28)18-21-13-15-22(42-3)16-14-21/h13-16,20,23-25,27-28H,4-12,17-19H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)/t20-,23-,24+,25-,27?,28?/m0/s1
- InChI Key： WANLLPADDCXPGO-WMKJBNATSA-N
- SMILES： O=C1C([C@@H](C)CC)NC([C@@H](CC2C=CC(=CC=2)OC)NC([C@H](CCCCCC(C2CO2)=O)NC([C@@H]2CCCCN21)=O)=O)=O
Computed Properties
- Exact Mass: 598.337
- Monoisotopic Mass: 598.337
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 43
- Rotatable Bond Count: 12
- Complexity: 998
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 146?2
Experimental Properties
- Density: 1.23
- Boiling Point: 898.7°Cat760mmHg
- Flash Point: 497.3°C
- Refractive Index: 1.573
Cyclo[(aS,2S)-a-amino-h-oxo-2-oxiraneoctanoyl-O-methyl-D-tyrosyl-L-isoleucyl-(2S)-2-piperidinecarbonyl] Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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