3-[[1-(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)benzimidazol-2-yl]amino]propanoic acid

Systemtic Name: 3-[[1-(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)benzimidazol-2-yl]amino]propanoic acid Openeye Name: 3-[[1-[2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]benzimidazol-2-yl]amino]propanoic acid CAS Name: 3-[[1-[1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-benzimidazolyl]amino]propanoic acid IUPAC Name: 3-[[1-(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)benzimidazol-2-yl]amino]propanoic acid Traditional Name: 3-[[1-[2-amino-2-keto-1-(2-naphthylmethyl)ethyl]benzimidazol-2-yl]amino]propionic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)N)N3C4=CC=CC=C4N=C3NCCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)N)N3C4=CC=CC=C4N=C3NCCC(=O)O

InChI

InChI=1S/C23H22N4O3/c24-22(30)20(14-15-9-10-16-5-1-2-6-17(16)13-15)27-19-8-4-3-7-18(19)26-23(27)25-12-11-21(28)29/h1-10,13,20H,11-12,14H2,(H2,24,30)(H,25,26)(H,28,29)