N-[(2S)-1-{[(2S)-5-[(Diaminomethyl)Amino]-1-Oxo-1-(1,3-Thiazol-2-Yl)-2-Pentanyl]Amino}-3-Methyl-1-Oxo-2-Butanyl]-4-Methylpentanamide

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Properties Simple | Detailed

Formula C20H36N6O3S
IUPAC Name n-[(1s)-1-[[(1s)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-4-methyl-pentanamide
Molecular Mass 440.603 g·mol−1
Heat of Formation -557.7 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 569.18 Å 3
Surface Area 492.69 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
  • n-[(1s)-1-[[(1s)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-4-methyl-pentanamide
  • n-[(1s)-1-[[(1s)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-4-methyl-valeramide
  • n-[(1s)-1-[[[(1s)-4-(diaminomethylamino)-1-[oxo-(2-thiazolyl)methyl]butyl]amino]-oxomethyl]-2-methylpropyl]-4-methylpentanamide
  • n-[(2s)-1-[[(2s)-5-(diaminomethylamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]-4-methyl-pentanamide
  • n-[(2s)-1-[[(2s)-5-(diaminomethylamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
InChIKey ZXELQWLUDMEUHS-HOCLYGCPSA-N
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