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

CAS: 59703-84-3

Formula: C23H26N5NaO7S

SMILES: [Na+].CCN1CCN(C(=O)N[C@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C2=CC=CC=C2)C(=O)C1=O

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

InChI: InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14+,15-,20+;/m0./s1

Composition: C (51.20%), H (4.86%), N (12.98%), Na (4.26%), O (20.76%), S (5.94%)

Molar Mass: 539.54

Atom Count: 63

Heavy Atom Count: 37