Ristomycin A aglycone, 41-((4-((4-butylphenyl)-1-piperazinyl)methyl)-22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((3-(dimethylamino)propyl)amino)carbonyl)-

化合物标识与属性

CAS

562105-28-6

PubChem CID

135674023

SMILES

CCCCC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C=C4[C@H](NC(=O)[C@@H]5[C@@H](C6=CC(=C(C=C6)OC7=CC8=CC(=C7O)OC9=C(C=C(C[C@@H]1C(=O)N[C@@H](C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@@H](C(=O)N1)N)O)O)C(=O)N[C@H]8C(=O)N[C@H](C1=CC(=C(C=C1)O)C4=C3O)C(=O)N5)C=C9)Cl)Cl)O)C(=O)NCCCN(C)C)O

Canonical SMILES

CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)[C@H]3NC(=O)[C@@H]5NC(=O)[C@H]6NC(=O)[C@@H](Cc7ccc(c(Cl)c7)Oc7cc5cc(c7O)Oc5ccc(cc5Cl)[C@@H](O)[C@H](NC3=O)C(=O)N[C@@H]4C(=O)NCCCN(C)C)NC(=O)[C@@H](N)c3ccc(O)c(c3)Oc3cc(O)cc6c3)CC2)cc1