VAZ

N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine

Created:	2007-09-07
Last modified:	2021-03-13

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1 entries where VAZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	5
Bond Count	47
Aromatic Bond Count	0

2D diagram of VAZ

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Chemical Component Summary
Name	N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine
Synonyms	(S)-2-amino-6-((R)-1-((1S,2S)-1-carboxy-2-hydroxy-2-(methylthio)ethoxy)-3-hydrosulfinyl-1-oxopropan-2-ylamino)-6-oxohexanoic acid
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₃ H₂₂ N₂ O₉ S₂
Molecular Weight	414.452
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(C(=O)O)C(O)SC)C(NC(=O)CCCC(C(=O)O)N)CS=O
SMILES	CACTVS	3.341	CS[CH](O)[CH](OC(=O)[CH](C[SH]=O)NC(=O)CCC[CH](N)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CSC(C(C(=O)O)OC(=O)C(CS=O)NC(=O)CCCC(C(=O)O)N)O
Canonical SMILES	CACTVS	3.341	CS[C@H](O)[C@@H](OC(=O)[C@H](C[S@@H]=O)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C13H22N2O9S2/c1-25-13(22)9(11(19)20)24-12(21)7(5-26-23)15-8(16)4-2-3-6(14)10(17)18/h6-7,9,13,22,26H,2-5,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t6-,7-,9-,13-/m0/s1
InChIKey	InChI	1.03	CRQOTISMRKWURZ-LOSGYTSQSA-N

Related Resource References

Resource Name	Reference
PubChem	49867812

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.