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Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate

CAS information

CAS number:
7177-48-2

Molecular and structural information

Molecular formula:
C16H25N3O7S
Molecular weight:
403.451
SMILES notation:
O.O.O.OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C
InChl:
InChI=1/C16H19N3O4S.3H2O/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
Structural formula:
Chemical structure