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lenampicillin hydrochloride

lenampicillin hydrochloride

CAS: 80734-02-7

Formula: C21H24ClN3O7S

SMILES: Cl.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCC1=C(C)OC(=O)O1

IUPAC: (5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl (2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride

InChI: InChI=1S/C21H23N3O7S.ClH/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11;/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25);1H/t13-,14+,15+,18+;/m1./s1

Composition: C (50.65%), H (4.86%), Cl (7.12%), N (8.44%), O (22.49%), S (6.44%)

Molar Mass: 497.95

Atom Count: 57

Heavy Atom Count: 33

Properties
Properties
Common Names lenampicillin hydrochloride
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 497.102349
Formal Charge 0
FSP3 0.43
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey FXXSETTYJSGMCR-GLCLSGQWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.66
Topological Polar Surface Area 137.26
Polarizability 44.9
Ring Count 4
Rotatable Bond Count 7

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