MUV
Summary
| Name: | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE |
| Formula: | C23 H31 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 477.574 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{(1S,2R)-1-benzyl-3-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-2-hydroxypropyl}-N'-methylbutanediamide |
| OpenEye OEToolkits | 1.5.0 | N'-[(2S,3R)-4-(cyclopropylmethyl-(furan-2-ylsulfonyl)amino)-3-hydroxy-1-phenyl-butan-2-yl]-N-methyl-butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N(CC1CC1)CC(O)C(NC(=O)CCC(=O)NC)Cc2ccccc2)c3occc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC2CC2)[S](=O)(=O)c3occc3 |
| SMILES | CACTVS | 3.341 | CNC(=O)CCC(=O)N[CH](Cc1ccccc1)[CH](O)CN(CC2CC2)[S](=O)(=O)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)CCC(=O)NC(Cc1ccccc1)C(CN(CC2CC2)S(=O)(=O)c3ccco3)O |
| InChI | InChI | 1.03 | InChI=1S/C23H31N3O6S/c1-24-21(28)11-12-22(29)25-19(14-17-6-3-2-4-7-17)20(27)16-26(15-18-9-10-18)33(30,31)23-8-5-13-32-23/h2-8,13,18-20,27H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | IKOPFHKAECNGQI-VQTJNVASSA-N |
