化学式

CAS号

IUPAC Name

[(1S,2S,4R,7R,9R,10S,12R,15S)-15-[(2R,3S)-2-[4-[氯-[2-[氯(丙基)氨基]乙基]氨基]butanoyloxy]-3-[(2-甲基-2-基)oxycarbonylamino]-3-phenylpropanoyl]氧基-1,9,12-三羟基-10,14,17,17-四甲基-11-氧代-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-烯-2-基]苯甲酸 [(1S,2S,4R,7R,9R,10S,12R,15S)-15-[(2R,3S)-2-[4-[chloro-[2-[chloro(propyl)amino]ethyl]amino]butanoyloxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

InChI

InChI=1S/C50H67Cl2N3O13/c1-9-22-54(51)24-25-55(52)23-16-21-36(57)66-41(39(30-17-12-10-13-18-30)53-46(62)68-47(3,4)5)45(61)65-34-27-50(63)43(67-44(60)31-19-14-11-15-20-31)38-32-28-64-33(32)26-35(56)49(38,8)42(59)40(58)37(29(34)2)48(50,6)7/h10-15,17-20,32-35,38-41,43,56,58,63H,9,16,21-28H2,1-8H3,(H,53,62)/t32-,33-,34+,35-,38?,39+,40-,41-,43+,49-,50-/m1/s1

InChI Key

VNWKOQNRJLQIFH-OTKCWFJPSA-N

Canonical SMILES

CCCN(CCN(CCCC(=O)OC(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OC2CC3(C(C4C5COC5CC(C4(C(=O)C(C(=C2C)C3(C)C)O)C)O)OC(=O)C6=CC=CC=C6)O)Cl)Cl

别名

• SCHEMBL15120518