MMI
Summary
| Name: | N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE |
| Synonyms: | MMI-175 |
| Formula: | C38 H62 N6 O8 |
| Formal charge: | 0 |
| Formula weight: | 730.934 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4S,7S)-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-4-(1-methylethyl)-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide |
| OpenEye OEToolkits | 1.5.0 | (4S,7S)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-8-oxo-octan-4-yl]-2,5,9-trioxo-4-propan-2-yl-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCc1ccccc1)C(NC(=O)C(C)CC(O)C(NC(=O)C2NC(=O)C(NC(=O)OCCCCCCNC(=O)C2)C(C)C)CC(C)C)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2 |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)[CH]1CC(=O)NCCCCCCOC(=O)N[CH](C(C)C)C(=O)N1)[CH](O)C[CH](C)C(=O)N[CH](C(C)C)C(=O)NCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)O)NC(=O)C2CC(=O)NCCCCCCOC(=O)NC(C(=O)N2)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1 |
| InChIKey | InChI | 1.03 | QJAPFAZHNSZLJE-CWURXVSKSA-N |
