2-azanyl-2-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-phenyl-methyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-2-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-phenyl-methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]-phenyl-methyl]-3-oxo-butanoic acid CAS Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-phenylmethyl]-3-oxobutanoic acid IUPAC Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]-phenylmethyl]-3-oxobutanoic acid Traditional Name: 2-[[1-(4-amidinophenyl)-2-keto-3-piperidyl]-phenyl-methyl]-2-amino-3-keto-butyric acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CC(=O)C(C(C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C23H26N4O4/c1-14(28)23(26,22(30)31)19(15-6-3-2-4-7-15)18-8-5-13-27(21(18)29)17-11-9-16(10-12-17)20(24)25/h2-4,6-7,9-12,18-19H,5,8,13,26H2,1H3,(H3,24,25)(H,30,31)