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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H27N3O5
Molecular Weight 377.4348
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((E,1R)-1-(((2S)-2-(((2S)-2-HYDROXY-3-METHYL-BUTANOYL)AMINO)PROPANOYL)AMINO)-3-(METHYLAMINO)ALLYL)BENZOIC ACID

SMILES

CN\C=C\[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C1=C(C=CC=C1)C(O)=O

InChI

InChIKey=RIWMHJIGLLFQDP-QNDISJRQSA-N
InChI=1S/C19H27N3O5/c1-11(2)16(23)18(25)21-12(3)17(24)22-15(9-10-20-4)13-7-5-6-8-14(13)19(26)27/h5-12,15-16,20,23H,1-4H3,(H,21,25)(H,22,24)(H,26,27)/b10-9+/t12-,15+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H27N3O5
Molecular Weight 377.4348
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:44 UTC 2023
Edited
by admin
on Sat Dec 16 16:33:44 UTC 2023
Record UNII
BU72PRA4FN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((E,1R)-1-(((2S)-2-(((2S)-2-HYDROXY-3-METHYL-BUTANOYL)AMINO)PROPANOYL)AMINO)-3-(METHYLAMINO)ALLYL)BENZOIC ACID
Systematic Name English
SEMAGACESTAT METABOLITE M19
Common Name English
Code System Code Type Description
FDA UNII
BU72PRA4FN
Created by admin on Sat Dec 16 16:33:44 UTC 2023 , Edited by admin on Sat Dec 16 16:33:44 UTC 2023
PRIMARY
PUBCHEM
156596711
Created by admin on Sat Dec 16 16:33:44 UTC 2023 , Edited by admin on Sat Dec 16 16:33:44 UTC 2023
PRIMARY
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