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

Systemtic Name: (4R,5S,6S)-3-(3-azanylpropylsulfanyl)-4-methyl-6-[(1S)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-3-(3-aminopropylsulfanyl)-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-3-(3-aminopropylthio)-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-3-(3-aminopropylsulfanyl)-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-3-(3-aminopropylthio)-6-[(1S)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCCCN)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCCCN)C(=O)O)[C@H](C)O

InChI

InChI=1S/C13H20N2O4S/c1-6-9-8(7(2)16)12(17)15(9)10(13(18)19)11(6)20-5-3-4-14/h6-9,16H,3-5,14H2,1-2H3,(H,18,19)/t6-,7+,8-,9-/m1/s1