6-(2-PHENYL-2-(2-ISOPROPYLPHENOXYCARBONYL))ACETAMIDOPENICILLANIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C26H28N2O6S
Molecular Weight	496.575
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-(2-PHENYL-2-(2-ISOPROPYLPHENOXYCARBONYL))ACETAMIDOPENICILLANIC ACID

Structure Search

SMILES

CC(C)C1=CC=CC=C1OC(=O)C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C4=CC=CC=C4

InChI

InChIKey=USSZNNRWBFHRHR-MNRDOXJOSA-N

InChI=1S/C26H28N2O6S/c1-14(2)16-12-8-9-13-17(16)34-25(33)18(15-10-6-5-7-11-15)21(29)27-19-22(30)28-20(24(31)32)26(3,4)35-23(19)28/h5-14,18-20,23H,1-4H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28N2O6S
Molecular Weight	496.575
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:10:54 GMT 2025` Edited by `admin` on `Mon Mar 31 23:10:54 GMT 2025`
Record UNII	Y311X3Y7BJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(2-CARBOXY-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-, 6-O-CUMENYL ESTER

Preferred Name

English

6-(2-PHENYL-2-(2-ISOPROPYLPHENOXYCARBONYL))ACETAMIDOPENICILLANIC ACID

Common Name

English

MALONAMIC ACID, N-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-6-YL)-2-PHENYL-, 1-O-CUMENYL ESTER

Systematic Name

English

PHENOL, O-ISOPROPYL-, 1-ESTER WITH N-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-6-YL)-2-PHENYLMALONAMIC ACID

Systematic Name

English

Code System Code Type Description

CAS

28940-95-6

Created by admin on Mon Mar 31 23:10:54 GMT 2025 , Edited by admin on Mon Mar 31 23:10:54 GMT 2025

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EPA CompTox

DTXSID90859887

Created by admin on Mon Mar 31 23:10:54 GMT 2025 , Edited by admin on Mon Mar 31 23:10:54 GMT 2025

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FDA UNII

Y311X3Y7BJ

Created by admin on Mon Mar 31 23:10:54 GMT 2025 , Edited by admin on Mon Mar 31 23:10:54 GMT 2025

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PUBCHEM

112500428

Created by admin on Mon Mar 31 23:10:54 GMT 2025 , Edited by admin on Mon Mar 31 23:10:54 GMT 2025

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Related Record Type Details


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POTASSIUM 6-(2-PHENYL-2-(2-ISOPROPYLPHENOXYCARBONYL))ACETAMIDOPENICILLANATE

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