2-[[2-[[3-(aminomethyl)phenyl]carbonylamino]benzimidazol-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[3-(aminomethyl)phenyl]carbonylamino]benzimidazol-2-yl]amino]ethanoic acid Openeye Name: 2-[[2-[[3-(aminomethyl)benzoyl]amino]benzimidazol-2-yl]amino]acetic acid CAS Name: 2-[[2-[[[3-(aminomethyl)phenyl]-oxomethyl]amino]-2-benzimidazolyl]amino]acetic acid IUPAC Name: 2-[[2-[[3-(aminomethyl)benzoyl]amino]benzimidazol-2-yl]amino]acetic acid Traditional Name: 2-[[2-[[3-(aminomethyl)benzoyl]amino]benzimidazol-2-yl]amino]acetic acid Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(N=C2C=C1)(NCC(=O)O)NC(=O)C3=CC(=CC=C3)CN

Isomeric SMILES

C1=CC2=NC(N=C2C=C1)(NCC(=O)O)NC(=O)C3=CC(=CC=C3)CN

InChI

InChI=1S/C17H17N5O3/c18-9-11-4-3-5-12(8-11)16(25)22-17(19-10-15(23)24)20-13-6-1-2-7-14(13)21-17/h1-8,19H,9-10,18H2,(H,22,25)(H,23,24)