6EH
Summary
| Name: | Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide |
| Formula: | C24 H31 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 425.521 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide |
| OpenEye OEToolkits | 2.0.4 | methyl ~{N}-[(2~{S})-1-[3-[(2~{R})-morpholin-2-yl]propylamino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3NCC(CCCNC(=O)C(C(c1ccccc1)c2ccccc2)NC(OC)=O)OC3 |
| InChI | InChI | 1.03 | InChI=1S/C24H31N3O4/c1-30-24(29)27-22(23(28)26-14-8-13-20-17-25-15-16-31-20)21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-22,25H,8,13-17H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m1/s1 |
| InChIKey | InChI | 1.03 | JLOXTJQCNGOWCO-IRLDBZIGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3 |
| SMILES | CACTVS | 3.385 | COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)NCCC[CH]3CNCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | COC(=O)NC(C(c1ccccc1)c2ccccc2)C(=O)NCCCC3CNCCO3 |
