Methyl [(2S)-1-{2-[(4R)-4-Benzyl-4-Hydroxy-5-{[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Amino}-5-Oxopentanoyl]-2-(4-Bromobenzyl)Hydrazinyl}-3,3-Dimethyl-1-Oxobutan-2-Yl]Carbamate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C36H43BrN4O7
IUPAC Name methyl n-[1-[[[4-benzyl-4-hydroxy-5-[(2-hydroxyindan-1-yl)amino]-5-oxo-pentanoyl]-[(4-bromophenyl)methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 723.653 g·mol−1
Heat of Formation -1106.8 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 820.23 Å 3
Surface Area 584.65 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • methyl n-[(1s)-1-[[(4-bromophenyl)methyl-[(4r)-4-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-4-(phenylmethyl)pentanoyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
  • methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-4-hydroxy-5-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentanoyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
  • methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-4-hydroxy-5-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentanoyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
  • n-[(1s)-1-[[[(4r)-4-(benzyl)-4-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-keto-pentanoyl]-(4-bromobenzyl)amino]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester
  • n-[(1s)-1-[[n'-[(4-bromophenyl)methyl]-n'-[(4r)-4-hydroxy-5-[[(1s,2r)-2-hydroxy-1-indanyl]amino]-1,5-dioxo-4-(phenylmethyl)pentyl]hydrazino]-oxomethyl]-2,2-dimethylpropyl]carbamic acid methyl ester
InChIKey FPXYCCHKLAQWFU-AYZRFRAKSA-N
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