(3S)-Tetrahydro-3-Furanyl [(2S,3R)-4-{(Cyclopentylmethyl)[(4-Methoxyphenyl)Sulfonyl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]Carbamate

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Properties Simple | Detailed

Formula C28H38N2O7S
IUPAC Name [(3s)-oxolan-3-yl] n-[(2s,3r)-4-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular Mass 546.676 g·mol−1
Heat of Formation 2541.9 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 576.21 Å 3
Surface Area 459.41 Å 2
HOMO Energy -7.74 ± 0.55 eV
LUMO Energy -2.48 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s)-oxolan-3-yl] n-[(2s,3r)-4-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • [(3s)-tetrahydrofuran-3-yl] n-[(1s,2r)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • carbamic acid, ((1s,2r)-3-((cyclopentylmethyl)((4-methoxyphenyl)sulfonyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-,(3s)-tetrahydro-3-furanyl ester
  • carbamic acid, [(1s,2r)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-,(3s)-tetrahydro-3-furanyl ester
  • n-((1s,2r)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxy-1-benzylpropyl)(2s and 2r)-oxolan-3-yloxycarboxamide
  • n-[(1s,2r)-1-(benzyl)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid [(3s)-tetrahydrofuran-3-yl] ester
  • n-[(1s,2r)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid [(3s)-3-tetrahydrofuranyl] ester
  • vb-11,328
  • vb-11328
CAS Number(s)
  • 160231-42-5
InChIKey ZQUDHBMLXPGCHF-DOEKTCAHSA-N
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