PRD_000609
Summary
| Name: | D-phenylalanyl-N-benzyl-L-prolinamide |
| Synonyms: | (2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-(phenylmethyl)pyrrolidine-2-carboxamide |
| Formula: | C21 H25 N3 O2 |
| Formal charge: | 0 |
| Fomular weight: | 351.442 |
| Component type: | peptide-like |
| Polymer sequences: | DPN, PRO, ABN |
| Non-polymer components: | |
| BIRD class: | Thrombin Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_001013 |
| Program | Version | Name |
| ACDLabs | 12.01 | D-phenylalanyl-N-benzyl-L-prolinamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-(phenylmethyl)pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1ccccc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3 |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccccc3)N |
| InChI | InChI | 1.03 | InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | MEPJWLFTTFHOQO-MOPGFXCFSA-N |
