3-[[6-[(4-carbamimidoylphenyl)carbonylamino]-1H-benzimidazol-2-yl]amino]propanoic acid

Systemtic Name: 3-[[6-[(4-carbamimidoylphenyl)carbonylamino]-1H-benzimidazol-2-yl]amino]propanoic acid Openeye Name: 3-[[6-[(4-carbamimidoylbenzoyl)amino]-1H-benzimidazol-2-yl]amino]propanoic acid CAS Name: 3-[[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1H-benzimidazol-2-yl]amino]propanoic acid IUPAC Name: 3-[[6-[(4-carbamimidoylbenzoyl)amino]-1H-benzimidazol-2-yl]amino]propanoic acid Traditional Name: 3-[[6-[(4-amidinobenzoyl)amino]-1H-benzimidazol-2-yl]amino]propionic acid Formula: C18H18N6O3 MolecularWeight: 366.37392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(=O)NC2=CC3=C(C=C2)N=C(N3)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(=O)NC2=CC3=C(C=C2)N=C(N3)NCCC(=O)O

InChI

InChI=1S/C18H18N6O3/c19-16(20)10-1-3-11(4-2-10)17(27)22-12-5-6-13-14(9-12)24-18(23-13)21-8-7-15(25)26/h1-6,9H,7-8H2,(H3,19,20)(H,22,27)(H,25,26)(H2,21,23,24)