Cas no 918412-65-4 (L-Glutamic acid, L-cysteinylglycyl-L-cysteinylglycyl-L-cysteinylglycyl-)
918412-65-4 structure
Product Name:L-Glutamic acid, L-cysteinylglycyl-L-cysteinylglycyl-L-cysteinylglycyl-
CAS No:918412-65-4
MF:C20H33N7O10S3
MW:627.711920499802
CID:776617
PubChem ID:71427308
Update Time:2025-04-19
L-Glutamic acid, L-cysteinylglycyl-L-cysteinylglycyl-L-cysteinylglycyl- Chemical and Physical Properties
Names and Identifiers
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- L-Glutamic acid, L-cysteinylglycyl-L-cysteinylglycyl-L-cysteinylglycyl-
- (2S)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]pentanedioic acid
- DTXSID90846050
- L-Cysteinylglycyl-L-cysteinylglycyl-L-cysteinylglycyl-L-glutamic acid
- 918412-65-4
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- Inchi： 1S/C20H33N7O10S3/c21-9(6-38)17(33)22-3-14(29)26-11(7-39)19(35)24-5-15(30)27-12(8-40)18(34)23-4-13(28)25-10(20(36)37)1-2-16(31)32/h9-12,38-40H,1-8,21H2,(H,22,33)(H,23,34)(H,24,35)(H,25,28)(H,26,29)(H,27,30)(H,31,32)(H,36,37)/t9-,10-,11-,12-/m0/s1
- InChI Key： LTRSCSCSZFOVLE-BJDJZHNGSA-N
- SMILES： SC[C@@H](C(NCC(N[C@H](C(=O)O)CCC(=O)O)=O)=O)NC(CNC([C@H](CS)NC(CNC([C@H](CS)N)=O)=O)=O)=O
Computed Properties
- Exact Mass: 627.14510380g/mol
- Monoisotopic Mass: 627.14510380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 40
- Rotatable Bond Count: 19
- Complexity: 956
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -6.5
- Topological Polar Surface Area: 278?2
L-Glutamic acid, L-cysteinylglycyl-L-cysteinylglycyl-L-cysteinylglycyl- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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