D-Valyl-N-{(2S)-5-[(Diaminomethylene)Amino]-2-[(4-Nitrophenyl)Amino]Pentanoyl}Glycinamide

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Properties Simple | Detailed

Formula C19H30N8O5
IUPAC Name (2s)-n-[2-[[(2r)-2-amino-3-methyl-butanoyl]amino]acetyl]-5-guanidino-2-(4-nitroanilino)pentanamide
Molecular Mass 450.492 g·mol−1
Heat of Formation -486.7 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 538.03 Å 3
Surface Area 476.81 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[2-[[(2r)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxoethyl]-5-guanidino-2-[(4-nitrophenyl)amino]pentanamide
  • (2s)-n-[2-[[(2r)-2-amino-3-methyl-butanoyl]amino]acetyl]-5-guanidino-2-[(4-nitrophenyl)amino]pentanamide
  • (2s)-n-[2-[[(2r)-2-amino-3-methyl-butanoyl]amino]acetyl]-5-guanidino-2-[(4-nitrophenyl)amino]valeramide
  • (2s)-n-[2-[[(2r)-2-amino-3-methyl-butanoyl]amino]ethanoyl]-5-(diaminomethylideneamino)-2-[(4-nitrophenyl)amino]pentanamide
  • (2s)-n-[2-[[(2r)-2-amino-3-methylbutanoyl]amino]acetyl]-5-(diaminomethylideneamino)-2-[(4-nitrophenyl)amino]pentanamide
  • val-gly-arg-para-nitroanilide
  • valyl-glycyl-arginine-4-nitroanilide
CAS Number(s)
  • 80798-23-8
InChIKey AOWXTXLTBLLDBS-GOEBONIOSA-N
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