orb1733423

Compound Identifiers & Properties

CAS

1927-31-7

PubChem CID

176419084

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CNC(=O)CCCCCNC(=O)CCCCCNC(=O)C3=CC(=C(C=C3)C4=C5C=CC(=[NH2+])C(=C5OC6=C4C=CC(=C6S(=O)(=O)[O-])N)S(=O)(=O)O)C(=O)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Canonical SMILES

Nc1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)NCCCCCC(=O)NC/C=C/c4cn([C@H]5C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O5)c(=O)[nH]c4=O)cc3C(=O)O)c3ccc(=[NH2+])c(S(=O)(=O)O)c-3oc2c1S(=O)(=O)[O-]