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(2S,3R)-2-[(2S,3R)-4-{[1-(4,5-Dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-5-({[(2,2-dimethylpropanoyl)oxy]methoxy}carbonyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoic acid | CAS No. 1380688-27-6

(2S,3R)-2-[(2S,3R)-4-{[1-(4,5-Dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-5-({[(2,2-dimethylpropanoyl)oxy]methoxy}carbonyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoic acid

Basic Information

Chemical_Structure_Of

CAS Number

1380688-27-6

Molecular Formula

C22H33N3O7S2

Molecular Weight

515.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.47±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)OCOC(=O)C(C)(C)C)[C@@H]([C@@H](C)O)C(=O)O

InChI

InChI=1S/C22H33N3O7S2/c1-11-15(14(12(2)26)18(27)28)24-16(19(29)31-10-32-20(30)22(3,4)5)17(11)34-13-8-25(9-13)21-23-6-7-33-21/h11-15,24,26H,6-10H2,1-5H3,(H,27,28)/t11-,12-,14-,15-/m1/s1

InChIKey

XRCZSPQKQSSDGX-QHSBEEBCSA-N

LogP

1.4977000000000007

Topological Polar Surface Area

137.76000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Synonyms & References

English

4,7-seco-Tebipenemoic Acid Pivoxil
XRCZSPQKQSSDGX-QHSBEEBCSA-N
(2S,3R)-2-[(2S,3R)-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoic acid
1H-Pyrrole-2-acetic acid, 4-[[1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl]thio]-5-[[(2,2-dimethyl-1-oxopropoxy)methoxy]carbonyl]-2,3-dihydro-α-[(1R)-1-hydroxyethyl]-3-methyl-, (αS,2S,3R)-
Tibipenem ester ring-opener P2

MDL Number

MFCD24386551

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS Number: 1016505-59-1

Molecular Formula: C8H7N3O2

(10,10,10-~2~H_3_)Decanoic acid structure

(10,10,10-~2~H_3_)Decanoic acid

CAS Number: 102611-15-4

Molecular Formula: C10H17D3O2

Methyl 8-methylquinoline-7-carboxylate structure

Methyl 8-methylquinoline-7-carboxylate

CAS Number: 1030846-94-6

Molecular Formula: C12H11NO2

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

CAS Number: 1048919-15-8

Molecular Formula: C12H14FNO4

4,6-Nonadecadiyn-1-ol structure

4,6-Nonadecadiyn-1-ol

CAS Number: 1071447-01-2

Molecular Formula: C19H32O

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

CAS Number: 110187-11-6

Molecular Formula: C19H18O6

Azithromycin EP Impurity J structure

Azithromycin EP Impurity J

CAS Number: 117693-41-1

Molecular Formula: C30H58N2O9

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride

CAS Number: 1198286-24-6

Molecular Formula: C16H26Cl2N2

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Supplier Information

Guangzhou Lanning Biotechnology Co., Ltd.-Sales Department

CAS Number: 1380688-27-6

ShenZhenZhenJiangShengWuJiShu Co Ltd

CAS Number: 1380688-27-6

Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.

CAS Number: 1380688-27-6

HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 1380688-27-6

Shanghai Kewei Chemical Technology Co., Ltd.

CAS Number: 1380688-27-6