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

Systemtic Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]acetyl]amino]-3-phenyl-propionic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N4O4/c24-21(25)16-8-10-18(11-9-16)27-12-4-7-17(22(27)29)14-20(28)26-19(23(30)31)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H3,24,25)(H,26,28)(H,30,31)