A1AV5
Summary
| Name: | N-[(2S)-1-{[(2S)-1-hydroxy-3-(1,3-oxazol-4-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
| Formula: | C22 H28 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 428.482 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-{[(2S)-1-hydroxy-3-(1,3-oxazol-4-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-[[(2~{S})-1-(1,3-oxazol-4-yl)-3-oxidanyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1cocn1)CO |
| InChI | InChI | 1.06 | InChI=1S/C22H28N4O5/c1-13(2)7-18(21(28)24-14(10-27)8-15-11-31-12-23-15)26-22(29)19-9-16-17(25-19)5-4-6-20(16)30-3/h4-6,9,11-14,18,25,27H,7-8,10H2,1-3H3,(H,24,28)(H,26,29)/t14-,18-/m0/s1 |
| InChIKey | InChI | 1.06 | JODVTPBBFRHZCY-KSSFIOAISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)Cc3cocn3 |
| SMILES | CACTVS | 3.385 | COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](CO)Cc3cocn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)N[C@@H](Cc1cocn1)CO)NC(=O)c2cc3c([nH]2)cccc3OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(Cc1cocn1)CO)NC(=O)c2cc3c([nH]2)cccc3OC |
