DFK
Summary
| Name: | D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE |
| Synonyms: | D-PHENYLALANYL-PROLYL-ARGINYL-CHLOROMETHANE |
| Formula: | C21 H34 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 418.533 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(1R)-1-hydroxyethyl]butyl}-L-prolinamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(3S)-6-carbamimidamido-2-hydroxy-hexan-3-yl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(CCCNC(=[N@H])N)C(O)C)C2N(C(=O)C(N)Cc1ccccc1)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc2ccccc2 |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](CCCNC(N)=N)NC(=O)[CH]1CCCN1C(=O)[CH](N)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\NCCC[C@@H](C(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCCC(C(C)O)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C21H34N6O3/c1-14(28)17(9-5-11-25-21(23)24)26-19(29)18-10-6-12-27(18)20(30)16(22)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18,28H,5-6,9-13,22H2,1H3,(H,26,29)(H4,23,24,25)/t14?,16-,17+,18+/m1/s1 |
| InChIKey | InChI | 1.03 | YKABSBOIBVOPTK-LVQSNCFTSA-N |
