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

Systemtic Name: 2-azanyl-2-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-(4-methoxyphenyl)methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]-(4-methoxyphenyl)methyl]-3-oxo-butanoic acid CAS Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-(4-methoxyphenyl)methyl]-3-oxobutanoic acid IUPAC Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]-(4-methoxyphenyl)methyl]-3-oxobutanoic acid Traditional Name: 2-[[1-(4-amidinophenyl)-2-keto-3-piperidyl]-(4-methoxyphenyl)methyl]-2-amino-3-keto-butyric acid Formula: C24H28N4O5 MolecularWeight: 452.50292

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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=C(C=C3)OC)(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5/c1-14(29)24(27,23(31)32)20(15-7-11-18(33-2)12-8-15)19-4-3-13-28(22(19)30)17-9-5-16(6-10-17)21(25)26/h5-12,19-20H,3-4,13,27H2,1-2H3,(H3,25,26)(H,31,32)