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

Systemtic Name: 2-azanyl-2-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-thiophen-3-yl-methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]-(3-thienyl)methyl]-3-oxo-butanoic acid CAS Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-(3-thiophenyl)methyl]-3-oxobutanoic acid IUPAC Name: 2-amino-2-[[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]-thiophen-3-ylmethyl]-3-oxobutanoic acid Traditional Name: 2-[[1-(4-amidinophenyl)-2-keto-3-piperidyl]-(3-thienyl)methyl]-2-amino-3-keto-butyric acid Formula: C21H24N4O4S MolecularWeight: 428.50466

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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=CSC=C3)(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-12(26)21(24,20(28)29)17(14-8-10-30-11-14)16-3-2-9-25(19(16)27)15-6-4-13(5-7-15)18(22)23/h4-8,10-11,16-17H,2-3,9,24H2,1H3,(H3,22,23)(H,28,29)