12-[5-[3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
12-[5-[3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid · CAS 1207638-53-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 12-[5-[3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
- CAS
- 1207638-53-6
- CID
- 76760159
- IUPAC 名称
- 12-[5-[3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 12-[5-[3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
- CAS
- 1207638-53-6
- CID
- 76760159
- IUPAC 名称
- 12-[5-[3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
分子属性
- 分子式
- C52H53N3O6S3
- 分子量
- 912.2 g/mol
- 精确质量
- 911.30964994 Da
- 单同位素质量
- 911.30964994 Da
- XLogP
- 13.1
- 极性表面积
- 201 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 19
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 1760
结构标识
- InChIKey
- HXSDFCKKOUCOIZ-UHFFFAOYSA-N
- SMILES
- C1CC2C(C1)N(C3=C2C=C(C=C3)C=C4C(=O)N(C(=C5C(=O)N(C(=S)S5)CCCCCCCCCCCC(=O)O)S4)CC(=O)O)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8
- InChI
- InChI=1S/C52H53N3O6S3/c56-46(57)23-14-6-4-2-1-3-5-7-15-30-53-50(61)48(64-52(53)62)51-54(34-47(58)59)49(60)45(63-51)33-36-26-29-44-42(32-36)40-21-16-22-43(40)55(44)39-27-24-35(25-28-39)31-41(37-17-10-8-11-18-37)38-19-12-9-13-20-38/h8-13,17-20,24-29,31-33,40,43H,1-7,14-16,21-23,30,34H2,(H,56,57)(H,58,59)