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l-Arginine methyl ester,L-Arginine, methyl ester, methyl 2-amino-5-(di

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摘 要:l-Arginine methyl ester,L-Arginine, methyl ester, methyl 2-amino-5-(diaminomethylideneamino)pentanoate,Canonical SMILES: COC(=O)C(CCCN=C(N)N)N,InChI: InChI=1/C7H16N4O2/c1-13-6(12)5(8)3-2-4-11-7(9)10/h5H,2-4,8H2,1H3,(H4,9,,10,11)/f/h9-10H2,Molecular W
[Synonyms]
l-Arginine methyl ester
L-Arginine, methyl ester

[Structure]
l-Arginine methyl ester,L-Arginine, methyl ester, methyl 2-amino-5-(di

[ Properties Computed from Structure]
Molecular Weight188.22754 [g/mol]
Molecular FormulaC7H16N4O2
XLogP-1.1
H-Bond Donor3
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count2
Exact Mass188.127326
MonoIsotopic Mass188.127326
Topological Polar Surface Area117
Heavy Atom Count13
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl 2-amino-5-(diaminomethylideneamino)pentanoate
Canonical SMILES: COC(=O)C(CCCN=C(N)N)N
InChI: InChI=1/C7H16N4O2/c1-13-6(12)5(8)3-2-4-11-7(9)10/h5H,2-4,8H2,1H3,(H4,9,
10,11)/f/h9-10H2

 
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