ACV

L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
41 entries where ACV is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	3
Bond Count	48
Aromatic Bond Count	0

2D diagram of ACV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-6-[[(2R)-1-[[(2R)-1-hydroxy-3-methyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
Formula	C₁₄ H₂₅ N₃ O₆ S
Molecular Weight	363.43
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS
SMILES	CACTVS	3.341	CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1
InChIKey	InChI	1.03	BYEIJZFKOAXBBV-ATZCPNFKSA-N

Drug Info: DrugBank

DrugBank ID	DB02025
Name	ACV tripeptide
Groups	experimental
Synonyms	L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine N-[L-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine ACV ACV tripeptide (alpha-Aminoadipyl)-cys-val 5-(2-Aminoad)-cys-val delta(L-2-Aminoadipyl)-L-cysteinyl-D-valine AADCV
Categories	Amino Acids, Peptides, and Proteins Peptides
CAS number	32467-88-2

Related Resource References

Resource Name	Reference
PubChem	448130, 25202924
ChEMBL	CHEMBL70421
ChEBI	CHEBI:28496

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.