化学式

CAS号

IUPAC Name

甲基(2S,3S,4S,5R,6S)-6-[[(1S)-3-[(E)-3-[4-[(E)-3-[(1S)-1-(chloroamino)-5-[(2S,3R,4S,5S,6S)-3,4,5-三羟基-6-methoxycarbonyloxan-2-基]氧基-1,2-二氢苯并[e]吲哚-3-基]-3-羰基丙-1-烯基]-3-[3-[6-(2,5-dioxopyrrol-1-基)hexanoylamino]丙酰基氨基]苯基]丙-2-enoyl]-1-(氯甲基)-1,2-二氢苯并[e]吲哚-5-基]氧基]-3,4 methyl (2S,3S,4S,5R,6S)-6-[[(1S)-3-[(E)-3-[4-[(E)-3-[(1S)-1-(chloroamino)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]phenyl]prop-2-enoyl]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate

InChI

InChI=1S/C64H66Cl2N6O20/c1-87-61(85)59-55(81)53(79)57(83)63(91-59)89-43-27-41-51(37-12-7-5-10-35(37)43)34(29-65)30-71(41)49(77)19-16-32-15-17-33(39(26-32)68-46(74)23-24-67-45(73)14-4-3-9-25-70-47(75)21-22-48(70)76)18-20-50(78)72-31-40(69-66)52-38-13-8-6-11-36(38)44(28-42(52)72)90-64-58(84)54(80)56(82)60(92-64)62(86)88-2/h5-8,10-13,15-22,26-28,34,40,53-60,63-64,69,79-84H,3-4,9,14,23-25,29-31H2,1-2H3,(H,67,73)(H,68,74)/b19-16+,20-18+/t34-,40-,53+,54+,55+,56+,57-,58-,59+,60+,63-,64-/m1/s1

InChI Key

ZLHLOQBXMJCSJB-FPSJKGJLSA-N

Canonical SMILES

COC(=O)C1C(C(C(C(O1)OC2=CC3=C(C(CN3C(=O)C=CC4=CC(=C(C=C4)C=CC(=O)N5CC(C6=C5C=C(C7=CC=CC=C76)OC8C(C(C(C(O8)C(=O)OC)O)O)O)NCl)NC(=O)CCNC(=O)CCCCCN9C(=O)C=CC9=O)CCl)C1=CC=CC=C12)O)O)O

别名

• SCHEMBL20808543