(2,5-Dioxopyrrolidin-1-yl) 4-[[3-[[1-[(11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl)oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate

(2,5-Dioxopyrrolidin-1-yl) 4-[[3-[[1-[(11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl)oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate · CAS 452072-20-7

中文名: 暂无
中文别名: 暂无
英文名: (2,5-Dioxopyrrolidin-1-yl) 4-[[3-[[1-[(11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl)oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate
CAS: 452072-20-7
CID: 72279615
IUPAC 名称: (2,5-dioxopyrrolidin-1-yl) 4-[[3-[[1-[(11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl)oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate

名称与编号

中文名: 暂无
中文别名: 暂无
英文名: (2,5-Dioxopyrrolidin-1-yl) 4-[[3-[[1-[(11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl)oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate
CAS: 452072-20-7
CID: 72279615
IUPAC 名称: (2,5-dioxopyrrolidin-1-yl) 4-[[3-[[1-[(11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl)oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate

分子属性

分子式: C44H59ClN4O14S2
分子量: 967.5 g/mol
精确质量: 966.3157726 Da
单同位素质量: 966.3157726 Da
XLogP: 2.3
极性表面积: 271 Å²
氢键供体: 2
氢键受体: 16
可旋转键: 16
重原子数: 65
净电荷: 0
结构复杂度: 1840

结构标识

InChIKey: ZMOVORWFEGTIJA-UHFFFAOYSA-N
SMILES: CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSSC(C)CCC(=O)ON5C(=O)CCC5=O)C)C)OC)(NC(=O)O2)O
InChI: InChI=1S/C44H59ClN4O14S2/c1-24-11-10-12-32(59-9)44(57)23-31(60-42(56)46-44)26(3)40-43(5,62-40)33(22-37(53)48(7)29-20-28(19-24)21-30(58-8)39(29)45)61-41(55)27(4)47(6)34(50)17-18-64-65-25(2)13-16-38(54)63-49-35(51)14-15-36(49)52/h10-12,20-21,25-27,31-33,40,57H,13-19,22-23H2,1-9H3,(H,46,56)