Methyl [(2S)-1-{2-[(2S)-2-Benzyl-2-Hydroxy-3-{[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Amino}-3-Oxopropyl]-2-(4-Bromobenzyl)Hydrazino}-3,3-Dimethyl-1-Oxo-2-Butanyl]Carbamate

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Properties Simple | Detailed

Formula C34H41BrN4O6
IUPAC Name methyl n-[(1s)-1-[[[(2s)-2-benzyl-2-hydroxy-3-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-3-oxo-propyl]-[(4-bromophenyl)methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 681.617 g·mol−1
Heat of Formation -872.4 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 759.77 Å 3
Surface Area 520.62 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1ah
  • methyl n-[(1s)-1-[[(4-bromophenyl)methyl-[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
  • methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
  • methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
  • n-[(1s)-1-[[[(2s)-2-(benzyl)-2-hydroxy-3-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-3-keto-propyl]-(4-bromobenzyl)amino]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester
  • n-[(1s)-1-[[n'-[(4-bromophenyl)methyl]-n'-[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxy-1-indanyl]amino]-3-oxo-2-(phenylmethyl)propyl]hydrazino]-oxomethyl]-2,2-dimethylpropyl]carbamic acid methyl ester
  • {(1s)-1-[n'-(4-bromobenzyl)-n'-((2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenylpropyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
InChIKey JTIFBCHFPVQSEH-UNMGZEBXSA-N
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