A1AV7
Summary
| Name: | N-[(2S)-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
| Formula: | C24 H30 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 454.519 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 4-methoxy-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-(2-oxidanylidene-1~{H}-pyridin-3-yl)propan-2-yl]amino]pentan-2-yl]-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC=CC=C1CC(CO)NC(=O)C(CC(C)C)NC(=O)c1cc2c(OC)cccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C24H30N4O5/c1-14(2)10-19(23(31)26-16(13-29)11-15-6-5-9-25-22(15)30)28-24(32)20-12-17-18(27-20)7-4-8-21(17)33-3/h4-9,12,14,16,19,27,29H,10-11,13H2,1-3H3,(H,25,30)(H,26,31)(H,28,32)/t16-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | HCSRNUQFJDTQOI-LPHOPBHVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)CC3=CC=CNC3=O |
| SMILES | CACTVS | 3.385 | COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](CO)CC3=CC=CNC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(CC1=CC=CNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC |
