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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16ClN3O6S
Molecular Weight 365.79
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((((2S)-2-AMINO-3-METHOXY-3-OXOPROPYL)CARBAMOYL)AMINO)-5-CHLORO-4-METHYLBENZENE-1-SULFONIC ACID

SMILES

COC(=O)[C@@H](N)CNC(=O)NC1=CC(=CC(Cl)=C1C)S(O)(=O)=O

InChI

InChIKey=YSZMPMBOFWXUKF-VIFPVBQESA-N
InChI=1S/C12H16ClN3O6S/c1-6-8(13)3-7(23(19,20)21)4-10(6)16-12(18)15-5-9(14)11(17)22-2/h3-4,9H,5,14H2,1-2H3,(H2,15,16,18)(H,19,20,21)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H16ClN3O6S
Molecular Weight 365.79
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 18:08:38 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:38 GMT 2023
Record UNII
9UG6X38Z95
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((((2S)-2-AMINO-3-METHOXY-3-OXOPROPYL)CARBAMOYL)AMINO)-5-CHLORO-4-METHYLBENZENE-1-SULFONIC ACID
Systematic Name English
L-ALANINE, 3-((((3-CHLORO-2-METHYL-5-SULFOPHENYL)AMINO)CARBONYL)AMINO)-, 1-METHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
1333219-06-9
Created by admin on Sat Dec 16 18:08:38 GMT 2023 , Edited by admin on Sat Dec 16 18:08:38 GMT 2023
PRIMARY
PUBCHEM
89346603
Created by admin on Sat Dec 16 18:08:38 GMT 2023 , Edited by admin on Sat Dec 16 18:08:38 GMT 2023
PRIMARY
FDA UNII
9UG6X38Z95
Created by admin on Sat Dec 16 18:08:38 GMT 2023 , Edited by admin on Sat Dec 16 18:08:38 GMT 2023
PRIMARY