化学式

CAS号

IUPAC Name

[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[2,6-双(methylideneamino)hexanoyloxy]-2,6,6-三甲基-3-oxocyclohexen-1-基]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-三甲基-2-oxocyclohex-3-烯-1-基]2-氨基-6-(chloroamino)己酸 [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[2,6-bis(methylideneamino)hexanoyloxy]-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] 2-amino-6-(chloroamino)hexanoate

InChI

InChI=1S/C54H75ClN4O6/c1-37(23-19-25-39(3)29-31-43-41(5)49(60)47(35-53(43,7)8)64-51(62)45(56)27-15-18-34-59-55)21-13-14-22-38(2)24-20-26-40(4)30-32-44-42(6)50(61)48(36-54(44,9)10)65-52(63)46(58-12)28-16-17-33-57-11/h13-14,19-26,29-32,45-48,59H,11-12,15-18,27-28,33-36,56H2,1-10H3/b14-13+,23-19+,24-20+,31-29+,32-30+,37-21+,38-22+,39-25+,40-26+

InChI Key

XROKQHSDTBOHCY-IDNKNWSZSA-N

Canonical SMILES

CC1=C(C(CC(C1=O)OC(=O)C(CCCCNCl)N)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)OC(=O)C(CCCCN=C)N=C)C)C)C

别名

• SCHEMBL14565929