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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H26N2O3
Molecular Weight 258.3571
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-2-(((6S)-6-METHYLOCTANOYL)AMINO)BUTANOIC ACID, (2S)-

SMILES

CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(O)=O

InChI

InChIKey=HGPFVGWLPHIYKB-QWRGUYRKSA-N
InChI=1S/C13H26N2O3/c1-3-10(2)6-4-5-7-12(16)15-11(8-9-14)13(17)18/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)/t10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H26N2O3
Molecular Weight 258.3571
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 Wed Apr 02 00:47:26 GMT 2025
Edited
by admin
on Wed Apr 02 00:47:26 GMT 2025
Record UNII
411FR6Z3K4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTANOIC ACID, 4-AMINO-2-(((6S)-6-METHYL-1-OXOOCTYL)AMINO)-, (2S)-
Preferred Name English
4-AMINO-2-(((6S)-6-METHYLOCTANOYL)AMINO)BUTANOIC ACID, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71422199
Created by admin on Wed Apr 02 00:47:26 GMT 2025 , Edited by admin on Wed Apr 02 00:47:26 GMT 2025
PRIMARY
CAS
921607-49-0
Created by admin on Wed Apr 02 00:47:26 GMT 2025 , Edited by admin on Wed Apr 02 00:47:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID80841236
Created by admin on Wed Apr 02 00:47:26 GMT 2025 , Edited by admin on Wed Apr 02 00:47:26 GMT 2025
PRIMARY
FDA UNII
411FR6Z3K4
Created by admin on Wed Apr 02 00:47:26 GMT 2025 , Edited by admin on Wed Apr 02 00:47:26 GMT 2025
PRIMARY