VWW

L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide

Created:	2009-02-05
Last modified:	2011-06-04

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1 entries where VWW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	3
Bond Count	61
Aromatic Bond Count	12

2D diagram of VWW

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Chemical Component Summary
Name	L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-hydroxy-2-oxo-1-phenyl-ethyl]amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₂₃ H₂₇ N₃ O₆ S
Molecular Weight	473.542
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CCC(=O)NC(C(=O)NC(c1ccccc1)C(=O)O)CSCc2ccccc2
SMILES	CACTVS	3.370	N[CH](CCC(=O)N[CH](CSCc1ccccc1)C(=O)N[CH](C(O)=O)c2ccccc2)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CSCC(C(=O)NC(c2ccccc2)C(=O)O)NC(=O)CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(O)=O)c2ccccc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-,20+/m0/s1
InChIKey	InChI	1.03	ZPSKWMFLCHMEOY-CMKODMSKSA-N

Related Resource References

Resource Name	Reference
PubChem	444051

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