N-[(2R)-3-({[(5S)-3,5-Dimethyl-2,5-Dihydro-1,2-Oxazol-4-Yl]Methyl}Sulfonyl)-1-Oxo-1-{[(3S)-1-Phenyl-5-(Phenylsulfonyl)-3-Pentanyl]Amino}-2-Propanyl]-4-Morpholinecarboxamide

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Properties Simple | Detailed

Formula C31H42N4O8S2
IUPAC Name n-[(1r)-1-[[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methylsulfonylmethyl]-2-oxo-2-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonyl-propyl]amino]ethyl]morpholine-4-carboxamide
Molecular Mass 662.817 g·mol−1
Heat of Formation -1163.8 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 764.25 Å 3
Surface Area 542.0 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r)-1-[[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methylsulfonylmethyl]-2-keto-2-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonyl-propyl]amino]ethyl]morpholine-4-carboxamide
  • n-[(1r)-1-[[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methylsulfonylmethyl]-2-oxo-2-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonyl-propyl]amino]ethyl]morpholine-4-carboxamide
  • n-[(1r)-1-[[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methylsulfonylmethyl]-2-oxo-2-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonylpropyl]amino]ethyl]-4-morpholinecarboxamide
  • n-[(2r)-3-[[(5s)-3,5-dimethyl-2,5-dihydro-1,2-oxazol-4-yl]methylsulfonyl]-1-oxo-1-[[(3s)-1-phenyl-5-phenylsulfonyl-pentan-3-yl]amino]propan-2-yl]morpholine-4-carboxamide
InChIKey KPLOSZKQTFPNFM-MIUCGUHXSA-N
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