3-benzamidopropanoic acid; (5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-benzamidopropanoic acid; (5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-benzamidopropanoic acid; (5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-benzamidopropanoic acid; (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-benzamidopropanoic acid; (5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5R,6S)-3-[[(3S)-1-acetimidoylpyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; 3-benzamidopropionic acid Formula: C25H32N4O7S MolecularWeight: 532.60918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3CCN(C3)C(=N)C)O.C1=CC=C(C=C1)C(=O)NCCC(=O)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]3CCN(C3)C(=N)C)O.C1=CC=C(C=C1)C(=O)NCCC(=O)O

InChI

InChI=1S/C15H21N3O4S.C10H11NO3/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16;12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22);1-5H,6-7H2,(H,11,14)(H,12,13)/t7-,9+,10-,12-;/m1./s1