Methyl (E)-N~5~-(Amino{[(4-Methylphenyl)Sulfonyl]Amino}Methylene)-L-Ornithinate

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Properties Simple | Detailed

Formula C14H22N4O4S
IUPAC Name methyl (2s)-2-amino-5-[(e)-[amino-(p-tolylsulfonylamino)methylene]amino]pentanoate
Molecular Mass 342.414 g·mol−1
Heat of Formation -613.7 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 399.62 Å 3
Surface Area 327.23 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[amino-[(4-methylphenyl)sulfonylamino]methylene]amino]pentanoic acid methyl ester
  • (2s)-2-amino-5-[[amino-[(4-methylphenyl)sulfonylamino]methylene]amino]valeric acid methyl ester
  • methyl (2s)-2-amino-5-[[amino-[(4-methylphenyl)sulfonylamino]methylene]amino]pentanoate
  • methyl (2s)-2-amino-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]pentanoate
InChIKey GIGVCLWIEMFWBF-LBPRGKRZSA-N
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