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

Systemtic Name: 2-azanyl-2-[(4-carbamimidoylfuran-3-yl)-(2-oxidanylidene-1-phenyl-piperidin-3-yl)methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-[(4-carbamimidoyl-3-furyl)-(2-oxo-1-phenyl-3-piperidyl)methyl]-3-oxo-butanoic acid CAS Name: 2-amino-2-[(4-carbamimidoyl-3-furanyl)-(2-oxo-1-phenyl-3-piperidinyl)methyl]-3-oxobutanoic acid IUPAC Name: 2-amino-2-[(4-carbamimidoylfuran-3-yl)-(2-oxo-1-phenylpiperidin-3-yl)methyl]-3-oxobutanoic acid Traditional Name: 2-[(4-amidino-3-furyl)-(2-keto-1-phenyl-3-piperidyl)methyl]-2-amino-3-keto-butyric acid Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1CCCN(C1=O)C2=CC=CC=C2)C3=COC=C3C(=N)N)(C(=O)O)N

Isomeric SMILES

CC(=O)C(C(C1CCCN(C1=O)C2=CC=CC=C2)C3=COC=C3C(=N)N)(C(=O)O)N

InChI

InChI=1S/C21H24N4O5/c1-12(26)21(24,20(28)29)17(15-10-30-11-16(15)18(22)23)14-8-5-9-25(19(14)27)13-6-3-2-4-7-13/h2-4,6-7,10-11,14,17H,5,8-9,24H2,1H3,(H3,22,23)(H,28,29)