PRD_001061
Summary
| Name: | peptide inhibitor, syc 10 |
| Formula: | C30 H42 N4 O6 |
| Fomular weight: | 554.678 |
| Component type: | peptide-like |
| Polymer sequences: | PHQ, LEU, PHE, 1HB |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]-L-phenylalaninamide |
| OpenEye OEToolkits | 1.7.6 | (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-5-(dimethylamino)-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-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)CC(C)C)Cc2ccccc2)CO |
| InChI | InChI | 1.03 | InChI=1S/C30H42N4O6/c1-21(2)17-25(33-30(39)40-20-23-13-9-6-10-14-23)29(38)32-26(18-22-11-7-5-8-12-22)28(37)31-24(19-35)15-16-27(36)34(3)4/h5-14,21,24-26,35H,15-20H2,1-4H3,(H,31,37)(H,32,38)(H,33,39) |
| InChIKey | InChI | 1.03 | BBNVUPCWZSSVPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CO)CCC(=O)N(C)C |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)CCC(=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)CO)NC(=O)OCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)N(C)C)CO)NC(=O)OCc2ccccc2 |
