N~2~-{[(1R)-1-(4-Bromophenyl)Ethyl]Carbamoyl}-N~5~-Carbamoyl-N-[(2S)-1-{[(2S)-5-[(Diaminomethyl)Amino]-1-Oxo-1-(1,3-Thiazol-2-Yl)-2-Pentanyl]Amino}-3-Methyl-1-Oxo-2-Butanyl]-L-Ornithinamide

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Properties Simple | Detailed

Formula C29H45BrN10O5S
IUPAC Name (2s)-2-[[(1r)-1-(4-bromophenyl)ethyl]carbamoylamino]-n-[(1s)-1-[[(1s)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-5-ureido-pentanamide
Molecular Mass 725.701 g·mol−1
Heat of Formation -779.5 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 836.8 Å 3
Surface Area 709.51 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1r)-1-(4-bromophenyl)ethyl]carbamoylamino]-5-(carbamoylamino)-n-[(2s)-1-[[(2s)-5-(diaminomethylamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide
  • (2s)-2-[[(1r)-1-(4-bromophenyl)ethyl]carbamoylamino]-n-[(1s)-1-[[(1s)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-5-ureido-pentanamide
  • (2s)-2-[[(1r)-1-(4-bromophenyl)ethyl]carbamoylamino]-n-[(1s)-1-[[(1s)-4-(diaminomethylamino)-1-(thiazole-2-carbonyl)butyl]carbamoyl]-2-methyl-propyl]-5-ureido-valeramide
  • (2s)-2-[[[[(1r)-1-(4-bromophenyl)ethyl]amino]-oxomethyl]amino]-n-[(1s)-1-[[[(1s)-4-(diaminomethylamino)-1-[oxo-(2-thiazolyl)methyl]butyl]amino]-oxomethyl]-2-methylpropyl]-5-ureidopentanamide
  • (2s)-5-(aminocarbonylamino)-2-[[(1r)-1-(4-bromophenyl)ethyl]carbamoylamino]-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]pentanamide
  • (s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide
InChIKey HWZOXFNZLMNLSU-MNAPGUCWSA-N
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