P10
Summary
| Name: | [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER |
| Formula: | C27 H29 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 475.536 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1S)-3-hydroxy-2-oxo-1-(2-phenylethyl)propyl]-Nalpha-[(pyridin-3-ylmethoxy)carbonyl]-L-phenylalaninamide |
| OpenEye OEToolkits | 1.5.0 | pyridin-3-ylmethyl N-[(2S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenyl-pentan-3-yl]amino]-1-oxo-3-phenyl-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CO)C(NC(=O)C(NC(=O)OCc1cccnc1)Cc2ccccc2)CCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3 |
| SMILES | CACTVS | 3.341 | OCC(=O)[CH](CCc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC(C(=O)CO)NC(=O)C(Cc2ccccc2)NC(=O)OCc3cccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C27H29N3O5/c31-18-25(32)23(14-13-20-8-3-1-4-9-20)29-26(33)24(16-21-10-5-2-6-11-21)30-27(34)35-19-22-12-7-15-28-17-22/h1-12,15,17,23-24,31H,13-14,16,18-19H2,(H,29,33)(H,30,34)/t23-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | QCUBCTPTNWPFBC-ZEQRLZLVSA-N |
