3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclopropyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-[(4-amidinophenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-phenyl-propionic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NC(CC(=O)O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C(C1C(=O)NC(CC(=O)O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O4/c22-19(23)13-6-8-14(9-7-13)24-20(28)15-10-16(15)21(29)25-17(11-18(26)27)12-4-2-1-3-5-12/h1-9,15-17H,10-11H2,(H3,22,23)(H,24,28)(H,25,29)(H,26,27)