RNZ
Summary
| Name: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium |
| Formula: | C29 H37 N2 O2 |
| Formal charge: | 1 |
| Formula weight: | 445.616 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/p+1/t25-,26+/m0/s1 |
| InChIKey | InChI | 1.03 | SGKQSSMGZUXLMP-IZZNHLLZSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C[NH2+]C[CH](O)[CH](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C[NH2+]CC(C(Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O |
