Benzyl [(2S)-1-({(2S,3R,4R)-3-Hydroxy-5-({(2S)-1-[(2-Hydroxy-4-Methoxybenzyl)Amino]-3-Methyl-1-Oxo-2-Butanyl}Amino)-4-[(4-Methoxybenzyl)Amino]-5-Oxo-1-Phenyl-2-Pentanyl}Amino)-3,3-Dimethyl-1-Oxo-2-Butanyl]Carbamate

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Properties Simple | Detailed

Formula C46H59N5O9
IUPAC Name benzyl n-[(1s)-1-[[(1s,2r,3r)-1-benzyl-2-hydroxy-4-[[(1s)-1-[(2-hydroxy-4-methoxy-phenyl)methylcarbamoyl]-2-methyl-propyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-butyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 825.989 g·mol−1
Heat of Formation -1516.5 ± 16.7 kJ·mol−1
Dipole Moment 11.20 ± 1.08 D
Volume 1005.95 Å 3
Surface Area 770.33 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s)-n-(4-((n-((benzyloxy)carbonyl)tert.leucinyl)amino)-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl)valine 2-hydroxy-4-methoxy-benzylamide
  • (2r,3s,4s)-n-[4-[[n-[(benzyloxy)carbonyl]tert.leucinyl]amino]-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl]valine 2-hydroxy-4-methoxy-benzylamide
  • cbz-hv5-hv8-val-hv7
  • l-valinamide, n4-(3-methyl-n-((phenylmethoxy)carbonyl)-l-valyl)-4-amino-2,4,5-trideoxy-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-l-lyxonoyl-n-((2-hydroxy-4-methoxyphenyl)methyl)-
  • l-valinamide, n4-[3-methyl-n-[(phenylmethoxy)carbonyl]-l-valyl]-4-amino-2,4,5-trideoxy-2-[[(4-methoxyphenyl)methyl]amino]-5-phenyl-l-lyxonoyl-n-[(2-hydroxy-4-methoxyphenyl)methyl]-
  • n-[(1s)-1-[[(1s,2r,3r)-1-(benzyl)-2-hydroxy-4-[[(1s)-1-[(2-hydroxy-4-methoxy-benzyl)carbamoyl]-2-methyl-propyl]amino]-4-keto-3-[(4-methoxybenzyl)amino]butyl]carbamoyl]-2,2-dimethyl-propyl]carbamic acid benzyl ester
  • n-[(1s)-1-[[[(1s,2r,3r)-2-hydroxy-4-[[(1s)-1-[[(2-hydroxy-4-methoxyphenyl)methylamino]-oxomethyl]-2-methylpropyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-1-(phenylmethyl)butyl]amino]-oxomethyl]-2,2-dimethylpropyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-1-[[(1s,2r,3r)-2-hydroxy-4-[[(1s)-1-[(2-hydroxy-4-methoxy-phenyl)methylcarbamoyl]-2-methyl-propyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-1-(phenylmethyl)butyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s,3r,4r)-3-hydroxy-5-[[(2s)-1-[(2-hydroxy-4-methoxy-phenyl)methylamino]-3-methyl-1-oxo-butan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenyl-pentan-2-yl]amino]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s,3r,4r)-3-hydroxy-5-[[(2s)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
  • sdz283-910
CAS Number(s)
  • 164514-54-9
InChIKey YRESVHUBNCFVEW-FSYSLULESA-N
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