N-[(4-Hydroxy-3-Iodo-5-Nitrophenyl)Acetyl]Leucyl-N-[(1E)-5-Methyl-1-(Methylsulfonyl)-1-Hexen-3-Yl]Leucinamide

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Properties Simple | Detailed

Formula C28H43IN4O8S
IUPAC Name (2s)-2-[[2-(4-hydroxy-3-iodo-5-nitro-phenyl)acetyl]amino]-4-methyl-n-[(1s)-3-methyl-1-[[(1s)-3-methyl-1-[(e)-2-methylsulfonylvinyl]butyl]carbamoyl]butyl]pentanamide
Molecular Mass 722.632 g·mol−1
Heat of Formation -1150.8 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 759.67 Å 3
Surface Area 578.81 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[2-(4-hydroxy-3-iodo-5-nitro-phenyl)ethanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-n-[(e,3s)-5-methyl-1-methylsulfonyl-hex-1-en-3-yl]pentanamide
  • (2s)-2-[[(2s)-2-[[2-(4-hydroxy-3-iodo-5-nitro-phenyl)acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-n-[(1s)-3-methyl-1-[(e)-2-methylsulfonylvinyl]butyl]pentanamide
  • (2s)-2-[[(2s)-2-[[2-(4-hydroxy-3-iodo-5-nitro-phenyl)acetyl]amino]-4-methyl-pentanoyl]amino]-n-[(e,1s)-1-isobutyl-3-mesyl-prop-2-enyl]-4-methyl-valeramide
  • (2s)-2-[[(2s)-2-[[2-(4-hydroxy-3-iodo-5-nitrophenyl)-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-n-[(1s)-3-methyl-1-[(e)-2-methylsulfonylvinyl]butyl]pentanamide
  • 4-hydroxy-5-iodo-3-nitrophenylacetyl-leu-leu-leu-vinylsulfone
  • nip-l3vs
  • nlvs
InChIKey RSYTXXARKSZDKY-CGZPKHFZSA-N
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