GVX

L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine

Created:	2016-05-05
Last modified:	2016-10-12

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3 entries where GVX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	2
Bond Count	57
Aromatic Bond Count	6

2D diagram of GVX

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Chemical Component Summary
Name	L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-(2-phenylethylcarbamothioylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Formula	C₁₉ H₂₆ N₄ O₆ S₂
Molecular Weight	470.563
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C(CCC(=O)NC(C(=O)NCC(O)=O)CSC(=S)NCCc1ccccc1)N)=O
SMILES	CACTVS	3.385	N[CH](CCC(=O)N[CH](CSC(=S)NCCc1ccccc1)C(=O)NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)CCNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](CCC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(=O)NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C19H26N4O6S2/c20-13(18(28)29)6-7-15(24)23-14(17(27)22-10-16(25)26)11-31-19(30)21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,20H2,(H,21,30)(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1
InChIKey	InChI	1.03	WSGBVCNCZSZCGE-KBPBESRZSA-N

Related Resource References

Resource Name	Reference
PubChem	101164969
ChEMBL	CHEMBL3527413
ChEBI	CHEBI:136426

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.