sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoate

CAS: 81129-83-1

Formula: C16H25N2NaO5S

SMILES: [Na+].CC1(C)C[C@@H]1C(=O)NC(=C/CCCCSC[C@H](N)C(O)=O)C([O-])=O

IUPAC: sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoate

InChI: InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1

Composition: C (50.51%), H (6.62%), N (7.36%), Na (6.04%), O (21.03%), S (8.43%)

Molar Mass: 380.43

Atom Count: 50

Heavy Atom Count: 25