Nombre del analito

Ertapenem N-Carboxybenzyl Dimethyl Ester

Fórmula molecular

C32 H35 N3 O9 S

Peso molecular

637.7

Masa exacta

637.209

SMILES

COC(=O)C1=C(S[C@@H]2C[C@@H](N(C2)C(=O)OCc3ccccc3)C(=O)Nc4cccc(c4)C(=O)OC)[C@H](C)[C@@H]5[C@@H]([C@@H](C)O)C(=O)N15

InChI

InChI=1S/C32H35N3O9S/c1-17-25-24(18(2)36)29(38)35(25)26(31(40)43-4)27(17)45-22-14-23(28(37)33-21-12-8-11-20(13-21)30(39)42-3)34(15-22)32(41)44-16-19-9-6-5-7-10-19/h5-13,17-18,22-25,36H,14-16H2,1-4H3,(H,33,37)/t17-,18-,22-,23-,24-,25-/m1/s1

IUPAC

methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3R,5R)-5-[(3-methoxycarbonylphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat