0H8
Summary
| Name: | N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide |
| Formula: | C19 H35 N4 O8 P |
| Formal charge: | 0 |
| Formula weight: | 478.477 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide |
| OpenEye OEToolkits | 1.7.0 | 4-[[(2S)-1-[(2S)-2-[[(1R)-5-azanyl-1-phosphono-pentyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-butan-2-yl]amino]-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(CCCCN)P(=O)(O)O)C1N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](NC(=O)CCC(O)=O)C(=O)N1CCC[CH]1C(=O)N[CH](CCCCN)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C(C(=O)N1CCCC1C(=O)NC(CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H35N4O8P/c1-12(2)17(21-14(24)8-9-16(25)26)19(28)23-11-5-6-13(23)18(27)22-15(32(29,30)31)7-3-4-10-20/h12-13,15,17H,3-11,20H2,1-2H3,(H,21,24)(H,22,27)(H,25,26)(H2,29,30,31)/t13-,15+,17-/m0/s1 |
| InChIKey | InChI | 1.03 | POVVCGMAFFRCCC-LXZKKBNFSA-N |
