BENZYLPENICILLOIC ACID, (5S,6R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20N2O5S
Molecular Weight	352.405
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYLPENICILLOIC ACID, (5S,6R)-

Structure Search

SMILES

[H][C@@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=HCYWNSXLUZRKJX-AVGNSLFASA-N

InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H20N2O5S
Molecular Weight	352.405
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:09:10 GMT 2023` Edited by `admin` on `Sat Dec 16 12:09:10 GMT 2023`
Record UNII	02ZXX7U5JK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYLPENICILLOIC ACID, (5S,6R)-

Common Name

English

2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-5,5-DIMETHYL-.ALPHA.-((PHENYLACETYL)AMINO)-, (2S-(2.ALPHA.(S*),4.ALPHA.))-

Systematic Name

English

(5S,6R)-BENZYLPENICILLOIC ACID

Common Name

English

2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-5,5-DIMETHYL-.ALPHA.-((PHENYLACETYL)AMINO)-, (.ALPHA.R,2S,4S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

12300047

Created by admin on Sat Dec 16 12:09:10 GMT 2023 , Edited by admin on Sat Dec 16 12:09:10 GMT 2023

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CAS

89014-19-7

Created by admin on Sat Dec 16 12:09:10 GMT 2023 , Edited by admin on Sat Dec 16 12:09:10 GMT 2023

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EPA CompTox

DTXSID501033142

Created by admin on Sat Dec 16 12:09:10 GMT 2023 , Edited by admin on Sat Dec 16 12:09:10 GMT 2023

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FDA UNII

02ZXX7U5JK

Created by admin on Sat Dec 16 12:09:10 GMT 2023 , Edited by admin on Sat Dec 16 12:09:10 GMT 2023

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