N~5~-(Diaminomethylene)-N~2~-[(4-Methylphenyl)Sulfonyl]-L-Ornithyl-N-Methylglycine

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Properties Simple | Detailed

Formula C16H25N5O5S
IUPAC Name 2-[[(2s)-5-guanidino-2-(p-tolylsulfonylamino)pentanoyl]-methyl-amino]acetic acid
Molecular Mass 399.465 g·mol−1
Heat of Formation -820.8 ± 16.7 kJ·mol−1
Dipole Moment 10.17 ± 1.08 D
Volume 471.21 Å 3
Surface Area 363.54 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-methyl-amino]ethanoic acid
  • 2-[[(2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-methylamino]acetic acid
  • 2-[[(2s)-5-guanidino-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]-methylamino]acetic acid
  • 2-[[(2s)-5-guanidino-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-methyl-amino]acetic acid
  • glycine, n-methyl-n-(n2-((4-methylphenyl)sulfonyl)-l-arginyl)-
  • n-tos-arg-sar
  • n-tosylarginylsarcosine
CAS Number(s)
  • 38234-28-5
InChIKey HFRSAXBNMCBBSJ-ZDUSSCGKSA-N
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