HCV
Summary
| Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine |
| Synonyms: | Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine |
| Formula: | C15 H27 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 377.456 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-[[(2S)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]-6-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS |
| InChI | InChI | 1.03 | InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | WDPVNDRNBJNETA-JBLDHEPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@@H](NC(=O)[C@H](CCS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](NC(=O)[CH](CCS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C(C(=O)O)NC(=O)C(CCS)NC(=O)CCCC(C(=O)O)N |
