ACV
Summary
Name: | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE |
Formula: | C14 H25 N3 O6 S |
Formal charge: | 0 |
Formula weight: | 363.43 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine |
OpenEye OEToolkits | 1.5.0 | (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 |
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_CANONICAL | CACTVS | 3.341 | CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O |
SMILES_CANONICAL | 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 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(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 |