3-[[3-[(4-carbamimidoylphenyl)carbonylamino]-2-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)carbonylamino]-2-phenyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylbenzoyl)amino]-2-phenyl-propanoyl]amino]propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-2-phenylpropyl]amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylbenzoyl)amino]-2-phenylpropanoyl]amino]propanoic acid Traditional Name: 3-[[3-[(4-amidinobenzoyl)amino]-2-phenyl-propanoyl]amino]propionic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C20H22N4O4/c21-18(22)14-6-8-15(9-7-14)19(27)24-12-16(13-4-2-1-3-5-13)20(28)23-11-10-17(25)26/h1-9,16H,10-12H2,(H3,21,22)(H,23,28)(H,24,27)(H,25,26)