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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H15N3O3
Molecular Weight 189.2123
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HOMOCITRULLINE, L-

SMILES

N[C@@H](CCCCNC(N)=O)C(O)=O

InChI

InChIKey=XIGSAGMEBXLVJJ-YFKPBYRVSA-N
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H15N3O3
Molecular Weight 189.2123
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

Approval Year

Substance Class Chemical
Record UNII
133T7A0Y5K
Record Status Validated (UNII)
Record Version