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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18ClNO5S
Molecular Weight 395.857
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(CHLOROACETYL)-N-((4-METHYLPHENYL)SULFONYL)-L-PHENYLALANINE

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@@H](CC2=CC=CC=C2)C(O)=O)C(=O)CCl

InChI

InChIKey=FQGPFIVHBQIVKG-INIZCTEOSA-N
InChI=1S/C18H18ClNO5S/c1-13-7-9-15(10-8-13)26(24,25)20(17(21)12-19)16(18(22)23)11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,22,23)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18ClNO5S
Molecular Weight 395.857
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:55:56 GMT 2023
Edited
by admin
on Sat Dec 16 07:55:56 GMT 2023
Record UNII
7K9602530G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(CHLOROACETYL)-N-((4-METHYLPHENYL)SULFONYL)-L-PHENYLALANINE
Systematic Name English
ALANINE, N-(CHLOROACETYL)-3-PHENYL-N-(P-TOLYLSULFONYL)-
Common Name English
Code System Code Type Description
PUBCHEM
101710384
Created by admin on Sat Dec 16 07:55:56 GMT 2023 , Edited by admin on Sat Dec 16 07:55:56 GMT 2023
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CAS
102516-65-4
Created by admin on Sat Dec 16 07:55:56 GMT 2023 , Edited by admin on Sat Dec 16 07:55:56 GMT 2023
PRIMARY
FDA UNII
7K9602530G
Created by admin on Sat Dec 16 07:55:56 GMT 2023 , Edited by admin on Sat Dec 16 07:55:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID20907663
Created by admin on Sat Dec 16 07:55:56 GMT 2023 , Edited by admin on Sat Dec 16 07:55:56 GMT 2023
PRIMARY