1-{(2S)-2-Amino-2-[(4-Methylphenyl)Sulfonyl]Acetyl}-N-{(2S)-5-[(Diaminomethylene)Amino]-2-[(4-Nitrophenyl)Amino]Pentanoyl}-L-Prolinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H16N8O7S
IUPAC Name 3-[[4-cyano-2-(nitromethylamino)but-3-ynoyl]carbamoyl]-4-ethyl-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazine-2-carbonyl cyanide; molecular nitrogen
Molecular Mass 500.445 g·mol−1
Heat of Formation -659.7 ± 16.7 kJ·mol−1
Dipole Moment 13.21 ± 1.08 D
Volume 686.38 Å 3
Surface Area 564.11 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-amino-2-(4-methylphenyl)sulfonyl-1-oxoethyl]-n-[(2s)-5-guanidino-2-[(4-nitrophenyl)amino]-1-oxopentyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2s)-2-amino-2-(4-methylphenyl)sulfonyl-acetyl]-n-[(2s)-5-guanidino-2-[(4-nitrophenyl)amino]pentanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-amino-2-(4-methylphenyl)sulfonyl-ethanoyl]-n-[(2s)-5-(diaminomethylideneamino)-2-[(4-nitrophenyl)amino]pentanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-amino-2-(4-methylphenyl)sulfonylacetyl]-n-[(2s)-5-(diaminomethylideneamino)-2-[(4-nitrophenyl)amino]pentanoyl]pyrrolidine-2-carboxamide
  • l-argininamide, l-2-((4-methylphenyl)sulfonyl)glycyl-l-prolyl-n-(4-nitrophenyl)-
  • n(alpha)-4-tosyl-glycyl-prolyl-arginine-4-nitroanilide
  • n-alpha-p-tos-gly-pro-arg-p-nitroanilide
  • nalpha-4-tosyl-glycyl-prolyl-arginine-4-nitroanilide
  • nalpha-p-tosyl-glycyl-prolyl-arginine-p-nitroanilide
  • tgpana
  • tosglyproargnan
CAS Number(s)
  • 81790-80-9
InChIKey WBMJWPBQZJHZFJ-FKBYEOEOSA-N
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