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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H10O3.C5H12N2O2
Molecular Weight 262.3028
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-ORNITHINE .ALPHA.-KETOISOCAPROATE

SMILES

CC(C)CC(=O)C(O)=O.NCCC[C@H](N)C(O)=O

InChI

InChIKey=UMQFXFDTFNTJRK-VWMHFEHESA-N
InChI=1S/C6H10O3.C5H12N2O2/c1-4(2)3-5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C5H12N2O2
Molecular Weight 132.161
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H10O3
Molecular Weight 130.1418
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9K1Y6V15ZY
Record Status Validated (UNII)
Record Version