PRD_001054
Summary
| Name: | peptide inhibitor, syc59 |
| Formula: | C24 H38 N4 O6 |
| Fomular weight: | 478.582 |
| Component type: | peptide-like |
| Polymer sequences: | PHQ, ALA, LEU, 1HB |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(benzyloxy)carbonyl]-L-alanyl-N-[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]-L-leucinamide |
| OpenEye OEToolkits | 1.7.6 | (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-5-(dimethylamino)-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(C)C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)CC(C)C)CO |
| InChI | InChI | 1.03 | InChI=1S/C24H38N4O6/c1-16(2)13-20(23(32)26-19(14-29)11-12-21(30)28(4)5)27-22(31)17(3)25-24(33)34-15-18-9-7-6-8-10-18/h6-10,16-17,19-20,29H,11-15H2,1-5H3,(H,25,33)(H,26,32)(H,27,31)/t17-,19-,20+/m1/s1 |
| InChIKey | InChI | 1.03 | UCCJLTDLMDACDO-RLLQIKCJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)CCC(=O)N(C)C |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)[CH](C)NC(=O)OCc1ccccc1)C(=O)N[CH](CO)CCC(=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)CO)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NC(CCC(=O)N(C)C)CO)NC(=O)C(C)NC(=O)OCc1ccccc1 |
