CL-242817

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21NO5S
Molecular Weight	363.428
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]([C@H](SC(C)=O)C(=O)C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(O)=O

InChI

InChIKey=FLRNAFWKDUMBPC-PJODQICGSA-N

InChI=1S/C18H21NO5S/c1-11(17(22)19-10-6-9-14(19)18(23)24)16(25-12(2)20)15(21)13-7-4-3-5-8-13/h3-5,7-8,11,14,16H,6,9-10H2,1-2H3,(H,23,24)/t11-,14-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H21NO5S
Molecular Weight	363.428
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 10:25:22 GMT 2023` Edited by `admin` on `Sat Dec 16 10:25:22 GMT 2023`
Record UNII	735I61KD23
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CL-242817

Common Name

English

L-PROLINE, 1-((2R,3S)-3-(ACETYLTHIO)-2-METHYL-1,4-DIOXO-4-PHENYLBUTYL)-

Systematic Name

English

((S-(R*,S*))-1-((3-ACETYLTHIO)-3-BENZOYL-2-METHYL-PROPIONYL)- L-PROLINE)

Common Name

English

CL242817

Code

English

Code System Code Type Description

FDA UNII

735I61KD23

Created by admin on Sat Dec 16 10:25:22 GMT 2023 , Edited by admin on Sat Dec 16 10:25:22 GMT 2023

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PUBCHEM

128829

Created by admin on Sat Dec 16 10:25:22 GMT 2023 , Edited by admin on Sat Dec 16 10:25:22 GMT 2023

PRIMARY

EPA CompTox

DTXSID601007049

Created by admin on Sat Dec 16 10:25:22 GMT 2023 , Edited by admin on Sat Dec 16 10:25:22 GMT 2023

PRIMARY

CAS

86709-48-0

Created by admin on Sat Dec 16 10:25:22 GMT 2023 , Edited by admin on Sat Dec 16 10:25:22 GMT 2023

PRIMARY

Related Record Type Details


					735I61KD23

CL-242817

ACTIVE MOIETY