3-(1,3-benzodioxol-5-yl)-3-[2-[2-oxidanylidene-3-(phenylmethyl)benzimidazol-1-yl]hexanoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-[2-oxidanylidene-3-(phenylmethyl)benzimidazol-1-yl]hexanoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-benzyl-2-oxo-benzimidazol-1-yl)hexanoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-oxo-2-[2-oxo-3-(phenylmethyl)-1-benzimidazolyl]hexyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-benzyl-2-oxobenzimidazol-1-yl)hexanoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-benzyl-2-keto-benzimidazol-1-yl)hexanoylamino]propionic acid Formula: C30H31N3O6 MolecularWeight: 529.58364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCO2)N3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCO2)N3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O6/c1-2-3-11-25(29(36)31-22(17-28(34)35)21-14-15-26-27(16-21)39-19-38-26)33-24-13-8-7-12-23(24)32(30(33)37)18-20-9-5-4-6-10-20/h4-10,12-16,22,25H,2-3,11,17-19H2,1H3,(H,31,36)(H,34,35)