3-(1-carbamimidoylpyrrolidin-3-yl)-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-carbamimidoylpyrrolidin-3-yl)-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-carbamimidoylpyrrolidin-3-yl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(1-carbamimidoyl-3-pyrrolidinyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-carbamimidoylpyrrolidin-3-yl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(1-amidinopyrrolidin-3-yl)-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1C3CCN(C3)C(=N)N)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1C3CCN(C3)C(=N)N)C(=O)O)C(C)O

InChI

InChI=1S/C15H22N4O4/c1-6-9(8-3-4-18(5-8)15(16)17)12(14(22)23)19-11(6)10(7(2)20)13(19)21/h6-8,10-11,20H,3-5H2,1-2H3,(H3,16,17)(H,22,23)