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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C14H25N3O4S.5H2O
Molecular Weight 752.938
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALITAME

SMILES

O.O.O.O.O.C[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1C(C)(C)SC1(C)C.C[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)NC2C(C)(C)SC2(C)C

InChI

InChIKey=NUFKRGBSZPCGQB-FLBSXDLDSA-N
InChI=1S/2C14H25N3O4S.5H2O/c2*1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5;;;;;/h2*7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19);5*1H2/t2*7-,8+;;;;;/m11...../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H25N3O4S
Molecular Weight 331.431
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 Fri Dec 15 16:13:31 UTC 2023
Edited
by admin
on Fri Dec 15 16:13:31 UTC 2023
Record UNII
6KI9M51JOG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALITAME
FCC   HSDB   USAN  
USAN  
Official Name English
E-956(ALITAME)
Common Name English
ALITAME [USP-RS]
Common Name English
ALITAME HYDRATE
Common Name English
ALITAME [USAN]
Common Name English
ALITAME [HSDB]
Common Name English
ACLAME
Brand Name English
(3S)-Amino-N-[(1R)-1-[(2,2,4,4-tetramethyl-3-thietanyl)carbamoyl]ethyl]succinamic acid hydrate (2:5)
Systematic Name English
D-ALANINAMIDE, L-.ALPHA.-ASPARTYL-N-(2,2,4,4-TETRAMETHYL-3-THIETANYL)-, HYDRATE (2:5)
Common Name English
CP-54,802
Code English
ALITAME [FCC]
Common Name English
INS-956(ALITAME)
Common Name English
CP-54802
Code English
INS NO.956(ALITAME)
Common Name English
Classification Tree Code System Code
CODEX ALIMENTARIUS (GSFA) INS-956
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
NCI_THESAURUS C283
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
Code System Code Type Description
PUBCHEM
20055408
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
HSDB
7825
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
RS_ITEM_NUM
1012848
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
FDA UNII
6KI9M51JOG
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
USAN
Y-33
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
CAS
1269188-34-2
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
NON-SPECIFIC STOICHIOMETRY
CAS
99016-42-9
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
MESH
C082016
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104004
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
NCI_THESAURUS
C74194
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID1035028
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
WIKIPEDIA
ALITAME
Created by admin on Fri Dec 15 16:13:31 UTC 2023 , Edited by admin on Fri Dec 15 16:13:31 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE