MUU
概要
| 表記: | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE |
| 組成式: | C26 H35 N3 O6 S |
| 電荷: | 0 |
| 化学式量: | 517.638 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-[(1S,2R)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-N'-methylbutanediamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2S,3R)-4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]-3-hydroxy-1-phenyl-butan-2-yl]-N'-methyl-butanediamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N(CC(O)C(NC(=O)CCC(=O)NC)Cc1ccccc1)CC2CC2)c3cccc(OC)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC2CC2)[S](=O)(=O)c3cccc(OC)c3 |
| SMILES | CACTVS | 3.341 | CNC(=O)CCC(=O)N[CH](Cc1ccccc1)[CH](O)CN(CC2CC2)[S](=O)(=O)c3cccc(OC)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)CCC(=O)NC(Cc1ccccc1)C(CN(CC2CC2)S(=O)(=O)c3cccc(c3)OC)O |
| InChI | InChI | 1.03 | InChI=1S/C26H35N3O6S/c1-27-25(31)13-14-26(32)28-23(15-19-7-4-3-5-8-19)24(30)18-29(17-20-11-12-20)36(33,34)22-10-6-9-21(16-22)35-2/h3-10,16,20,23-24,30H,11-15,17-18H2,1-2H3,(H,27,31)(H,28,32)/t23-,24+/m0/s1 |
| InChIKey | InChI | 1.03 | XCGCXCBWFPNYSI-BJKOFHAPSA-N |
