A1ADM
Summary
| Name: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-1-(1H-indole-2-carbonyl)-4,4-dimethyl-L-prolinamide |
| Formula: | C23 H30 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 426.509 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-1-(1H-indole-2-carbonyl)-4,4-dimethyl-L-prolinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(1~{H}-indol-2-ylcarbonyl)-4,4-dimethyl-~{N}-[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1(C)CC(C(=O)NC(CC2CCNC2=O)CO)N(C1)C(=O)c1cc2ccccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C23H30N4O4/c1-23(2)11-19(21(30)25-16(12-28)9-15-7-8-24-20(15)29)27(13-23)22(31)18-10-14-5-3-4-6-17(14)26-18/h3-6,10,15-16,19,26,28H,7-9,11-13H2,1-2H3,(H,24,29)(H,25,30)/t15-,16-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | VFSCZUUJUPXSPK-BXWFABGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C[C@H](N(C1)C(=O)c2[nH]c3ccccc3c2)C(=O)N[C@H](CO)C[C@@H]4CCNC4=O |
| SMILES | CACTVS | 3.385 | CC1(C)C[CH](N(C1)C(=O)c2[nH]c3ccccc3c2)C(=O)N[CH](CO)C[CH]4CCNC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C[C@H](N(C1)C(=O)c2cc3ccccc3[nH]2)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(N(C1)C(=O)c2cc3ccccc3[nH]2)C(=O)NC(CC4CCNC4=O)CO)C |
