B9U
Summary
| Name: | (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide |
| Formula: | C16 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 290.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-oxidanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc2c1c(cn2)CC(NC(C(O)C(C)C)=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O3/c1-10(2)15(20)16(21)18-12(9-19)7-11-8-17-14-6-4-3-5-13(11)14/h3-6,8,10,12,15,17,19-20H,7,9H2,1-2H3,(H,18,21)/t12-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | DXJFYGFPQOYURY-WFASDCNBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](O)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](O)C(=O)N[CH](CO)Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(C(=O)NC(Cc1c[nH]c2c1cccc2)CO)O |
