6-(2-PHENYL-2-(4-CARBOMETHOXYMETHYLPHENOXYCARBONYL)ACETAMIDO)PENICILLANIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C26H26N2O8S
Molecular Weight	526.558
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0
Stereo Comments	Assumed epimeric

SHOW SMILES / InChI

Structure of 6-(2-PHENYL-2-(4-CARBOMETHOXYMETHYLPHENOXYCARBONYL)ACETAMIDO)PENICILLANIC ACID

Structure Search

SMILES

COC(=O)CC1=CC=C(OC(=O)C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C4=CC=CC=C4)C=C1

InChI

InChIKey=BYPQSRUDDAELDU-MNRDOXJOSA-N

InChI=1S/C26H26N2O8S/c1-26(2)20(24(32)33)28-22(31)19(23(28)37-26)27-21(30)18(15-7-5-4-6-8-15)25(34)36-16-11-9-14(10-12-16)13-17(29)35-3/h4-12,18-20,23H,13H2,1-3H3,(H,27,30)(H,32,33)/t18?,19-,20+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H26N2O8S
Molecular Weight	526.558
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 `Tue Apr 01 22:14:27 GMT 2025` Edited by `admin` on `Tue Apr 01 22:14:27 GMT 2025`
Record UNII	ZD295HTI0K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETIC ACID, (P-HYDROXYPHENYL)-, METHYL ESTER, N-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-6-YL)-2-PHENYLMALONAMATE

Preferred Name

English

6-(2-PHENYL-2-(4-CARBOMETHOXYMETHYLPHENOXYCARBONYL)ACETAMIDO)PENICILLANIC 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-ESTER WITH METHYL (P-HYDROXYPHENYL)ACETATE

Common Name

English

Code System Code Type Description

FDA UNII

ZD295HTI0K

Created by admin on Tue Apr 01 22:14:27 GMT 2025 , Edited by admin on Tue Apr 01 22:14:27 GMT 2025

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CAS

29262-16-6

Created by admin on Tue Apr 01 22:14:27 GMT 2025 , Edited by admin on Tue Apr 01 22:14:27 GMT 2025

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PUBCHEM

137321740

Created by admin on Tue Apr 01 22:14:27 GMT 2025 , Edited by admin on Tue Apr 01 22:14:27 GMT 2025

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6-(2-PHENYL-2-(4-CARBOMETHOXYMETHYLPHENOXYCARBONYL)ACETAMIDO)PENICILLANIC ACID SODIUM

SALT/SOLVATE -> PARENT