sodium (2R,5S,6S)-6-[(2S)-2-(3-methanesulfonyl-2-oxoimidazolidine-1-carbonylamino)-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS: 42057-22-7

Formula: C21H24N5NaO8S2

SMILES: [Na+].[H][C@@]12SC(C)(C)[C@H](N1C(=O)[C@@H]2NC(=O)[C@@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C([O-])=O

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

InChI: InChI=1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);/q;+1/p-1/t12-,13-,14+,17-;/m0./s1

Composition: C (44.92%), H (4.31%), N (12.47%), Na (4.09%), O (22.79%), S (11.42%)

Molar Mass: 561.56

Atom Count: 61

Heavy Atom Count: 37