(4S,5R,6S)-4-(4-azanylbutyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4S,5R,6S)-4-(4-azanylbutyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4S,5R,6S)-4-(4-aminobutyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4S,5R,6S)-4-(4-aminobutyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4S,5R,6S)-4-(4-aminobutyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4S,5R,6S)-4-(4-aminobutyl)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)CSC3=NN=CS3)CCCCN)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)O)CSC3=NN=CS3)CCCCN)O

InChI

InChI=1S/C16H22N4O4S2/c1-8(21)11-12-9(4-2-3-5-17)10(6-25-16-19-18-7-26-16)13(15(23)24)20(12)14(11)22/h7-9,11-12,21H,2-6,17H2,1H3,(H,23,24)/t8-,9+,11-,12-/m1/s1