2-(aminomethyl)-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(aminomethyl)-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]-3-oxidanylidene-butanoic acid Openeye Name: 2-(aminomethyl)-2-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]-3-oxo-butanoic acid CAS Name: 2-(aminomethyl)-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]-3-oxobutanoic acid IUPAC Name: 2-(aminomethyl)-2-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]-3-oxobutanoic acid Traditional Name: 2-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]-2-(aminomethyl)-3-keto-butyric acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CN)(C1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC(=O)C(CN)(C1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C16H20N4O4/c1-9(21)16(8-17,15(23)24)12-6-7-20(14(12)22)11-4-2-10(3-5-11)13(18)19/h2-5,12H,6-8,17H2,1H3,(H3,18,19)(H,23,24)