(5R,6S)-6-[(1S)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate

CAS: 74431-23-5

Formula: C12H19N3O5S

SMILES: O.C[C@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O

IUPAC: (5R,6S)-6-[(1S)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate

InChI: InChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7+,9+;/m0./s1

Composition: C (45.42%), H (6.03%), N (13.24%), O (25.21%), S (10.10%)

Molar Mass: 317.36

Atom Count: 40

Heavy Atom Count: 21