Ecteinascidin 729
Molecular Formula:
C38H41N3O11S
InChI: InChI=1/C38H41N3O11S/c1-15-8-19-9-21-36(45)41-22-12-49-37(46)38(20-11-24(47-4)23(43)10-18(20)6-7-39-38)13-53-35(29(41)28(40-21)25(19)30(44)31(15)48-5)27-26(22)34-33(50-14-51-34)16(2)32(27)52-17(3)42/h8,10-11,21-22,28-29,35-36,39-40,43-45H,6-7,9,12-14H2,1-5H3/t21?,22-,28?,29+,35-,36?,38?/m0/s1
InChIKey: InChIKey=UPGCDKVJPIRNTG-CGTNRWMJBO
SMILES: CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
Names:
Ecteinascidin 729
NSC638718
114899-27-3
Registries:
PubChem CID 5459173
PubChem ID 8142210
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