4-[[2-[4-[4-[(2-aminophenyl)carbamoyl]butanoylamino]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Molecular Formula: C36H37N3O7S


InChI: InChI=1/C36H37N3O7S/c37-30-4-1-2-5-31(30)39-34(42)7-3-6-33(41)38-27-16-12-26(13-17-27)36-45-28(22-47-29-18-14-25(15-19-29)35(43)44)20-32(46-36)24-10-8-23(21-40)9-11-24/h1-2,4-5,8-19,28,32,36,40H,3,6-7,20-22,37H2,(H,38,41)(H,39,42)(H,43,44)/f/h38-39,43H

InChIKey: InChIKey=CZFIUEJTZULQJT-VMBNKSSXCB
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCC(=O)NC4=CC=CC=C4N)CSC5=CC=C(C=C5)C(=O)O

Names:
    4-[[2-[4-[4-[(2-aminophenyl)carbamoyl]butanoylamino]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Registries:
    PubChem CID 3560099
    PubChem ID 4817011