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[Synonyms] L-Homocitrulline Homocitrulline N(6)-carbamoyl-L-lysine N(6)-(aminocarbonyl)-L-lysine CHEBI:17443 L-Lysine, N(6)-(aminocarbonyl)- EINECS 214-722-0 NSC 27428 (2S)-2-amino-6-(carbamoylamino)hexanoic acid C02427 [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 1 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1 [ Descriptors Computed from Structure] IUPAC Name: (2S)-2-amino-6-(carbamoylamino)hexanoic acid Canonical SMILES: C(CCNC(=O)N)CC(C(=O)O)N Isomeric SMILES: C(CCNC(=O)N)C[C@@H](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)/t5-/m0/s1/f/h10-11H,9H2 |
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