Ampicillin Impurity Q

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Ampicillin Impurity Q

Cat. No. ANTPRD11175CAS 114977-84-3In StockSynthesized

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Technical Data

Cat. No.ANTPRD11175

CAS114977-84-3

Mol. FormulaC₄₈H₅₇N₉O₁₂S₃

Mol. Weight1048.236 g/mol

IUPAC(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SMILESCC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]3N[C@@H](C(=O)O)C(C)(C)S3)c3ccccc3)[C@@H]3N[C@@H](C(=O)O)C(C)(C)S3)c3ccccc3)C(=O)N2[C@H]1C(=O)O

InChIInChI=1S/C48H57N9O12S3/c1-46(2)31(43(64)65)55-39(70-46)28(52-34(58)25(49)22-16-10-7-11-17-22)37(61)50-26(23-18-12-8-13-19-23)35(59)53-29(40-56-32(44(66)67)47(3,4)71-40)38(62)51-27(24-20-14-9-15-21-24)36(60)54-30-41(63)57-33(45(68)69)48(5,6)72-42(30)57/h7-21,25-33,39-40,42,55-56H,49H2,1-6H3,(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,54,60)(H,64,65)(H,66,67)(H,68,69)/t25-,26-,27-,28-,29-,30-,31+,32+,33+,39-,40-,42-/m1/s1

InChI KeyCXYFUYQPFUMJDV-SFUXYWTESA-N

Description

Overview

Ampicillin Impurity Q, 114977-84-3, (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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Synonyms

(4S,4'S)-2,2'-((1R,7R,13R)-1-Amino-14-((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-6-ylamino)-2,5,8,11,14-pentaoxo-1,7,13-triphenyl-3,6,9,12-tetraazatetradecane-4,10-diyl(bis(5,5-dimethylthiazolidine-4-carboxylic acid)