MIN
Summary
| Name: | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE |
| Formula: | C22 H34 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 386.531 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-D-phenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(2R)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC1CCC(N)CC1)C3N(C(=O)C(NC)Cc2ccccc2)CCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NC[C@@H]3CC[C@@H](N)CC3 |
| SMILES | CACTVS | 3.370 | CN[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NC[CH]3CC[CH](N)CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N |
| InChI | InChI | 1.03 | InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18-,19-,20+/m1/s1 |
| InChIKey | InChI | 1.03 | MDSVGJAUFNXYRR-WTGUMLROSA-N |
