N-[(2S,3R)-4-{(Cyclopropylmethyl)[(3-Methoxyphenyl)Sulfonyl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]-N'-Methylsuccinamide

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Properties Simple | Detailed

Formula C26H35N3O6S
IUPAC Name n'-[(1s,2r)-1-benzyl-3-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-n-methyl-butanediamide
Molecular Mass 517.638 g·mol−1
Heat of Formation -870.1 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 624.8 Å 3
Surface Area 507.21 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • muu
  • n-[(1s,2r)-1-(benzyl)-3-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-n'-methyl-succinamide
  • n-[(1s,2r)-3-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]-2-hydroxy-1-(phenylmethyl)propyl]-n'-methyl-butanediamide
  • n-[(1s,2r)-3-[cyclopropylmethyl-(3-methoxyphenyl)sulfonylamino]-2-hydroxy-1-(phenylmethyl)propyl]-n'-methylbutanediamide
  • n-[(2s,3r)-4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]-3-hydroxy-1-phenyl-butan-2-yl]-n'-methyl-butanediamide
  • n-[(2s,3r)-4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]-n'-methylbutanediamide
InChIKey XCGCXCBWFPNYSI-BJKOFHAPSA-N
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