ZRA
Summary
| Name: | BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE |
| Synonyms: | benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate |
| Formula: | C18 H28 F N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 397.444 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate |
| OpenEye OEToolkits | 1.7.0 | phenylmethyl N-[(2S)-5-[bis(azanyl)methylamino]-1-[(4-fluoro-3-oxo-butan-2-yl)amino]-1-oxo-pentan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCNC(N)N)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1)C(=O)CF |
| SMILES | CACTVS | 3.370 | C[CH](NC(=O)[CH](CCCNC(N)N)NC(=O)OCc1ccccc1)C(=O)CF |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)CF)NC(=O)C(CCCNC(N)N)NC(=O)OCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C18H28FN5O4/c1-12(15(25)10-19)23-16(26)14(8-5-9-22-17(20)21)24-18(27)28-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,22H,5,8-11,20-21H2,1H3,(H,23,26)(H,24,27)/t12-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | FAAPWXRBXXSQNJ-JSGCOSHPSA-N |
