F4L
Summary
| Name: | Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide |
| Formula: | C17 H21 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 371.394 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl ~{N}-[(2~{R})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(1~{H}-1,2,3,4-tetrazol-5-ylamino)propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnn[NH]1)C(Cc1c[NH]c2ccccc21)NC(=O)OC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H21N7O3/c1-17(2,3)27-16(26)19-13(14(25)20-15-21-23-24-22-15)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H,19,26)(H2,20,21,22,23,24,25)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | OGAGNLWYSIOVOG-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]nnn3 |
