2-[1-[2-[[(4-carbamimidoylphenyl)carbonylamino]methyl]-3-phenyl-propanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[[(4-carbamimidoylphenyl)carbonylamino]methyl]-3-phenyl-propanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-benzyl-3-[(4-carbamimidoylbenzoyl)amino]propanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-[[[(4-carbamimidoylphenyl)-oxomethyl]amino]methyl]-1-oxo-3-phenylpropyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-benzyl-3-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-[[(4-amidinobenzoyl)amino]methyl]-3-phenyl-propanoyl]-4-piperidyl]acetic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)C(CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)C(CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H30N4O4/c26-23(27)19-6-8-20(9-7-19)24(32)28-16-21(14-17-4-2-1-3-5-17)25(33)29-12-10-18(11-13-29)15-22(30)31/h1-9,18,21H,10-16H2,(H3,26,27)(H,28,32)(H,30,31)