ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate · CAS 314263-42-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
- CAS
- 314263-42-8
- CID
- 24849138
- IUPAC 名称
- ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
- CAS
- 314263-42-8
- CID
- 24849138
- IUPAC 名称
- ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
分子属性
- 分子式
- C43H66N8O11S
- 分子量
- 903.1 g/mol
- 精确质量
- 902.45717612 Da
- 单同位素质量
- 902.45717612 Da
- XLogP
- 1.8
- 极性表面积
- 314 Ų
- 氢键供体
- 9
- 氢键受体
- 12
- 可旋转键
- 30
- 重原子数
- 63
- 净电荷
- 0
- 结构复杂度
- 1560
结构标识
- InChIKey
- MHOVYDVXSWUHAZ-JWZOSVBYSA-N
- SMILES
- CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)N
- InChI
- InChI=1S/C43H66N8O11S/c1-4-61-42(59)37-36(62-37)41(58)49-29(22-25(2)3)40(57)48-30(23-26-16-18-27(52)19-17-26)39(56)46-21-10-5-6-15-34(54)47-28(38(44)55)12-9-11-20-45-33(53)14-8-7-13-32-35-31(24-63-32)50-43(60)51-35/h16-19,25,28-32,35-37,52H,4-15,20-24H2,1-3H3,(H2,44,55)(H,45,53)(H,46,56)(H,47,54)(H,48,57)(H,49,58)(H2,50,51,60)/t28-,29-,30-,31-,32-,35-,36-,37-/m0/s1