1-(1,1-Dimethylethyl) (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22N2O5S
Molecular Weight	366.432
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(1,1-Dimethylethyl) (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylate

Structure Search

SMILES

CC(C)(C)OC(=O)N1C[C@@H](S)C[C@H]1C(=O)NC2=CC(=CC=C2)C(O)=O

InChI

InChIKey=WEBTWGPZGZPAPZ-STQMWFEESA-N

InChI=1S/C17H22N2O5S/c1-17(2,3)24-16(23)19-9-12(25)8-13(19)14(20)18-11-6-4-5-10(7-11)15(21)22/h4-7,12-13,25H,8-9H2,1-3H3,(H,18,20)(H,21,22)/t12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H22N2O5S
Molecular Weight	366.432
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:18:58 GMT 2023` Edited by `admin` on `Sat Dec 16 20:18:58 GMT 2023`
Record UNII	UE35VSL996
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(1,1-Dimethylethyl) (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylate

Systematic Name

English

1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-(1,1-dimethylethyl) ester, (2S,4S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

UE35VSL996

Created by admin on Sat Dec 16 20:18:58 GMT 2023 , Edited by admin on Sat Dec 16 20:18:58 GMT 2023

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CAS

219909-86-1

Created by admin on Sat Dec 16 20:18:58 GMT 2023 , Edited by admin on Sat Dec 16 20:18:58 GMT 2023

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