3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]-3-phenyl-propionic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CN2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CN2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H21N5O4/c22-20(23)15-6-8-16(9-7-15)26-11-10-25(21(26)30)13-18(27)24-17(12-19(28)29)14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H3,22,23)(H,24,27)(H,28,29)