B9L
Summary
| Name: | N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide |
| Formula: | C21 H25 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 351.442 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-(methylamino)-3-phenyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C(=O)NC(Cc2c1c(cccc1)nc2)CO)Cc3ccccc3)C |
| InChI | InChI | 1.03 | InChI=1S/C21H25N3O2/c1-22-20(11-15-7-3-2-4-8-15)21(26)24-17(14-25)12-16-13-23-19-10-6-5-9-18(16)19/h2-10,13,17,20,22-23,25H,11-12,14H2,1H3,(H,24,26)/t17-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | KYNKFSNOGATNQP-PXNSSMCTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1ccccc1)C(=O)N[CH](CO)Cc2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c3c2cccc3)CO |
