sodium (2S,5R,6R)-6-[2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS: 34642-77-8

Formula: C16H18N3NaO5S

SMILES: [Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C([O-])=O

IUPAC: sodium (2S,5R,6R)-6-[2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

InChI: InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9?,10-,11+,14-;/m1./s1

Composition: C (49.61%), H (4.68%), N (10.85%), Na (5.93%), O (20.65%), S (8.28%)

Molar Mass: 387.39

Atom Count: 44

Heavy Atom Count: 26