Lurbinectedin

Compound Identifiers & Properties

CAS

497871-47-3

PubChem CID

175673138

SMILES

CC1=CC2=C([C@@H]3[C@@H]4[C@@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O

Canonical SMILES

COc1ccc2[nH]c3c(c2c1)CCN[C@]31CS[C@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4