OCV
Summary
| Name: | N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE |
| Synonyms: | L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER |
| Formula: | C14 H24 N2 O7 S |
| Formal charge: | 0 |
| Formula weight: | 364.415 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-[[(2R)-1-[(2R)-1-hydroxy-3-methyl-1-oxo-butan-2-yl]oxy-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid |
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)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@@H](OC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)[CH](OC(=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)OC(=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)OC(=O)C(CS)NC(=O)CCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | HSEGTKOWKZOZDX-ATZCPNFKSA-N |
