AZL
Summary
| Name: | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE |
| Formula: | C21 H33 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 419.518 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl {(2R)-1-[(2S)-2-{[2-(4-aminobutyl)hydrazinyl]carbonyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate (non-preferred name) |
| OpenEye OEToolkits | 1.7.0 | ethyl N-[(2R)-1-[(2S)-2-[(4-azanylbutylamino)carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenyl-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NNCCCCN)C2N(C(=O)C(NC(=O)OCC)Cc1ccccc1)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN |
| SMILES | CACTVS | 3.370 | CCOC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NNCCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)NC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NNCCCCN |
| InChI | InChI | 1.03 | InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | AEHSFPPTWRQOFS-MSOLQXFVSA-N |
