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Details

Stereochemistry EPIMERIC
Molecular Formula C17H29NO5
Molecular Weight 327.4159
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-((E)-10-METHYLDODEC-3-ENOYL)-L-ASPARTIC ACID

SMILES

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

InChI

InChIKey=KKMYTOQKSJRDHI-UPZNYAMQSA-N
InChI=1S/C17H29NO5/c1-3-13(2)10-8-6-4-5-7-9-11-15(19)18-14(17(22)23)12-16(20)21/h7,9,13-14H,3-6,8,10-12H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b9-7+/t13?,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H29NO5
Molecular Weight 327.4159
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
0RE6947YB4
Record Status Validated (UNII)
Record Version