BD6
Summary
| Name: | N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tryptophanamide |
| Formula: | C35 H37 N7 O6 |
| Formal charge: | 0 |
| Formula weight: | 651.712 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-N-hydroxy-L-tryptophanamide |
| OpenEye OEToolkits | 1.5.0 | phenylmethyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]-methyl-amino]-3-(3H-imidazol-4-yl)-1-oxo-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCc1ccccc1)NC(C(=O)N(C)C(C(=O)NC(C(=O)NO)Cc3c2ccccc2nc3)Cc4ccccc4)Cc5cncn5 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NO)C(=O)[C@H](Cc4[nH]cnc4)NC(=O)OCc5ccccc5 |
| SMILES | CACTVS | 3.341 | CN([CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)NO)C(=O)[CH](Cc4[nH]cnc4)NC(=O)OCc5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C(Cc1ccccc1)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)C(Cc4cnc[nH]4)NC(=O)OCc5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C35H37N7O6/c1-42(34(45)30(18-26-20-36-22-38-26)40-35(46)48-21-24-12-6-3-7-13-24)31(16-23-10-4-2-5-11-23)33(44)39-29(32(43)41-47)17-25-19-37-28-15-9-8-14-27(25)28/h2-15,19-20,22,29-31,37,47H,16-18,21H2,1H3,(H,36,38)(H,39,44)(H,40,46)(H,41,43)/t29-,30-,31-/m0/s1 |
| InChIKey | InChI | 1.03 | PUYLOEIRYPDFJO-CHQNGUEUSA-N |
