3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]-2-(1H-imidazol-2-yl)propanoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]-2-(1H-imidazol-2-yl)propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-(1H-imidazol-2-yl)propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclopropyl]-oxomethyl]amino]-2-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-(1H-imidazol-2-yl)propanoic acid Traditional Name: 3-[[2-[(4-amidinophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-(1H-imidazol-2-yl)propionic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)NCC(C3=NC=CN3)C(=O)O

Isomeric SMILES

C1C(C1C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)NCC(C3=NC=CN3)C(=O)O

InChI

InChI=1S/C18H20N6O4/c19-14(20)9-1-3-10(4-2-9)24-17(26)12-7-11(12)16(25)23-8-13(18(27)28)15-21-5-6-22-15/h1-6,11-13H,7-8H2,(H3,19,20)(H,21,22)(H,23,25)(H,24,26)(H,27,28)