化学式

CAS号

IUPAC Name

[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[2,6-双(chloroamino)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]2,6-diaminohexanoate [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[2,6-bis(chloroamino)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] 2,6-diaminohexanoate

InChI

InChI=1S/C52H74Cl2N4O6/c1-35(21-17-23-37(3)27-29-41-39(5)47(59)45(33-51(41,7)8)63-49(61)43(56)25-13-15-31-55)19-11-12-20-36(2)22-18-24-38(4)28-30-42-40(6)48(60)46(34-52(42,9)10)64-50(62)44(58-54)26-14-16-32-57-53/h11-12,17-24,27-30,43-46,57-58H,13-16,25-26,31-34,55-56H2,1-10H3/b12-11+,21-17+,22-18+,29-27+,30-28+,35-19+,36-20+,37-23+,38-24+

InChI Key

HLTYDNNEBMMXDM-ICBPKLHCSA-N

Canonical SMILES

CC1=C(C(CC(C1=O)OC(=O)C(CCCCN)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(CCCCNCl)NCl)C)C)C

别名

• SCHEMBL17874996