PRD_000913
Summary
| Name: | M4Z inhibitor |
| Formula: | C24 H39 N7 O6 |
| Fomular weight: | 521.61 |
| Component type: | peptide-like |
| Polymer sequences: | 02J, ALA, VAL, LEU, 0JU |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-[(2R)-5-amino-1-imino-5-oxopentan-2-yl]-L-leucinamide |
| OpenEye OEToolkits | 1.7.6 | N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-azanylidene-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=[N@H])CCC(=O)N)CC(C)C)C(C)C)C)c1noc(c1)C |
| InChI | InChI | 1.03 | InChI=1S/C24H39N7O6/c1-12(2)9-17(22(34)28-16(11-25)7-8-19(26)32)29-24(36)20(13(3)4)30-21(33)15(6)27-23(35)18-10-14(5)37-31-18/h10-13,15-17,20,25H,7-9H2,1-6H3,(H2,26,32)(H,27,35)(H,28,34)(H,29,36)(H,30,33)/b25-11+/t15-,16+,17-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | BEDKZMYJXHXMQM-XELNVQSUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C=N |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](C)NC(=O)c1cc(C)on1)C(C)C)C(=O)N[CH](CCC(N)=O)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C=N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C=N |
