Free Chemical Databases
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[Synonyms]
L-Homocitrulline
L-Lysine, N6-(aminocarbonyl)-
L-Lysine, N(6)-(aminocarbonyl)-
NSC27428
ST012416
1190-49-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 189.2123 [g/mol] Molecular Formula C7H15N3O3 XLogP -3.6 H-Bond Donor 4 H-Bond Acceptor 4 Rotatable Bond Count 6 Tautomer Count 3 Exact Mass 189.111341 MonoIsotopic Mass 189.111341 Topological Polar Surface Area 118 Heavy Atom Count 13 Formal Charge 0 Complexity 184 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-amino-6-(carbamoylamino)hexanoic acid
Canonical SMILES: C(CCNC(=O)N)CC(C(=O)O)N
InChI: InChI=1/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)/f/h10-11H,9H2
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