3-[(4-carbamimidoylphenyl)carbonylamino]-4-[4-(carboxymethyloxy)piperidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-carbamimidoylphenyl)carbonylamino]-4-[4-(carboxymethyloxy)piperidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-carbamimidoylbenzoyl)amino]-4-[4-(carboxymethyloxy)-1-piperidyl]-4-oxo-butanoic acid CAS Name: 3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-[4-(carboxymethyloxy)-1-piperidinyl]-4-oxobutanoic acid IUPAC Name: 3-[(4-carbamimidoylbenzoyl)amino]-4-[4-(carboxymethyloxy)piperidin-1-yl]-4-oxobutanoic acid Traditional Name: 3-[(4-amidinobenzoyl)amino]-4-[4-(carboxymethyloxy)piperidino]-4-keto-butyric acid Formula: C19H24N4O7 MolecularWeight: 420.41646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)O)C(=O)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(CCC1OCC(=O)O)C(=O)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H24N4O7/c20-17(21)11-1-3-12(4-2-11)18(28)22-14(9-15(24)25)19(29)23-7-5-13(6-8-23)30-10-16(26)27/h1-4,13-14H,5-10H2,(H3,20,21)(H,22,28)(H,24,25)(H,26,27)