SCV

N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE

Created:	2001-04-20
Last modified:	2021-03-01

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3 entries where SCV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	3
Bond Count	46
Aromatic Bond Count	0

2D diagram of SCV

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Chemical Component Summary
Name	N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE
Synonyms	L-D-(A-AMINOADIPOYL)-L-(B-OXO)-CYSTEINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-6-[[(2R)-1-[(2R)-1-hydroxy-3-methyl-1-oxo-butan-2-yl]oxy-1,3-dioxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
Formula	C₁₄ H₂₂ N₂ O₈ S
Molecular Weight	378.398
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)C(=O)S
SMILES	CACTVS	3.341	CC(C)[CH](OC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C(S)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)C(C(=O)O)OC(=O)C(C(=O)S)NC(=O)CCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(C)[C@@H](OC(=O)[C@@H](NC(=O)CCC[C@H](N)C(O)=O)C(S)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C14H22N2O8S/c1-6(2)10(12(20)21)24-13(22)9(14(23)25)16-8(17)5-3-4-7(15)11(18)19/h6-7,9-10H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,23,25)/t7-,9+,10+/m0/s1
InChIKey	InChI	1.03	INECXHJFYVKZHW-FXBDTBDDSA-N

Related Resource References

Resource Name	Reference
PubChem	446034

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