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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H17NO3
Molecular Weight 199.2469
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-2-(METHYLAMINO)-3-OXO-6-OCTENOIC ACID, (2S,4R,6E)-

SMILES

CN[C@H](C(O)=O)C(=O)[C@H](C)C\C=C\C

InChI

InChIKey=RNSQZHRCLLLRKC-VWFQECGMSA-N
InChI=1S/C10H17NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-8,11H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H17NO3
Molecular Weight 199.2469
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:14:48 GMT 2023
Edited
by admin
on Sat Dec 16 14:14:48 GMT 2023
Record UNII
IAB946LF8U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-2-(METHYLAMINO)-3-OXO-6-OCTENOIC ACID, (2S,4R,6E)-
Systematic Name English
6-OCTENOIC ACID, 4-METHYL-2-(METHYLAMINO)-3-OXO-, (2S,4R,6E)-
Systematic Name English
Code System Code Type Description
FDA UNII
IAB946LF8U
Created by admin on Sat Dec 16 14:14:48 GMT 2023 , Edited by admin on Sat Dec 16 14:14:48 GMT 2023
PRIMARY
PUBCHEM
87885071
Created by admin on Sat Dec 16 14:14:48 GMT 2023 , Edited by admin on Sat Dec 16 14:14:48 GMT 2023
PRIMARY
CAS
1821736-49-5
Created by admin on Sat Dec 16 14:14:48 GMT 2023 , Edited by admin on Sat Dec 16 14:14:48 GMT 2023
PRIMARY