6-Biotin-17-NAD, H2O solution

Compound Identifiers & Properties

PubChem CID

176519020

SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCCNC(=O)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5C([C@H]([C@H](O5)COP(=O)(O)OP(=O)([O-])OC[C@H]6[C@H](C([C@H](O6)[N+]7=CC=CC(=C7)C(=O)N)O)O)O)O)NC(=O)N2

Canonical SMILES

NC(=O)c1ccc[n+]([C@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(NCC(=O)NCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)ncnc54)C(O)[C@H]3O)[C@@H](O)C2O)c1