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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H27N3O6
Molecular Weight 393.4349
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2S)-2-HYDROXY-3-METHYL-1-OXOBUTYL)-L-ALANYL-2-(2-(CARBOXYMETHYL)PHENYL)-N-METHYLGLYCINAMIDE, (2S)-

SMILES

CC(C)[C@@]([H])(C(=N[C@@]([H])(C)C(=N[C@@]([H])(c1ccccc1CC(=O)O)C(=NC)O)O)O)O

InChI

InChIKey=FGYWJNXUSWBPFV-UVBJJODRSA-N
InChI=1S/C19H27N3O6/c1-10(2)16(25)19(28)21-11(3)17(26)22-15(18(27)20-4)13-8-6-5-7-12(13)9-14(23)24/h5-8,10-11,15-16,25H,9H2,1-4H3,(H,20,27)(H,21,28)(H,22,26)(H,23,24)/t11-,15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H27N3O6
Molecular Weight 393.4349
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 Jun 26 13:35:53 UTC 2021
Edited
by admin
on Sat Jun 26 13:35:53 UTC 2021
Record UNII
DZC3C2AE1U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((2S)-2-HYDROXY-3-METHYL-1-OXOBUTYL)-L-ALANYL-2-(2-(CARBOXYMETHYL)PHENYL)-N-METHYLGLYCINAMIDE, (2S)-
Systematic Name English
SEMAGACESTAT METABOLITE M8
Common Name English
GLYCINAMIDE, N-((2S)-2-HYDROXY-3-METHYL-1-OXOBUTYL)-L-ALANYL-2-(2-(CARBOXYMETHYL)PHENYL)-N-METHYL-, (2S)-
Systematic Name English
Code System Code Type Description
CAS
1296772-51-4
Created by admin on Sat Jun 26 13:35:53 UTC 2021 , Edited by admin on Sat Jun 26 13:35:53 UTC 2021
PRIMARY
FDA UNII
DZC3C2AE1U
Created by admin on Sat Jun 26 13:35:53 UTC 2021 , Edited by admin on Sat Jun 26 13:35:53 UTC 2021
PRIMARY
PUBCHEM
146675087
Created by admin on Sat Jun 26 13:35:53 UTC 2021 , Edited by admin on Sat Jun 26 13:35:53 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE