(2S)-N-[(2S)-3,3-Dimethyl-2-(Methylamino)Butanoyl]-4-Methyl-2-[[(2S)-2-Sulfanyl-4-(3,4,4-Trimethyl-2,5-Dioxo-Imidazolidin-1-Yl)Butanoyl]Amino]Pentanamide

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Properties Simple | Detailed

Formula C23H41N5O5S
IUPAC Name (2s)-n-[(2s)-3,3-dimethyl-2-(methylamino)butanoyl]-4-methyl-2-[[(2s)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1-yl)butanoyl]amino]pentanamide
Molecular Mass 499.667 g·mol−1
Heat of Formation -1133.0 ± 16.7 kJ·mol−1
Dipole Moment 1.63 ± 1.08 D
Volume 648.38 Å 3
Surface Area 491.41 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3,3-dimethyl-2-methylamino-n-[(2s)-4-methyl-2-[[(2s)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1-yl)butanoyl]amino]pentanoyl]butanamide
  • (2s)-3,3-dimethyl-2-methylamino-n-[(2s)-4-methyl-2-[[(2s)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]pentanoyl]butanamide
  • (2s)-n-[(2s)-2-[[(2s)-2-mercapto-1-oxo-4-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)butyl]amino]-4-methyl-1-oxopentyl]-3,3-dimethyl-2-methylaminobutanamide
  • (2s)-n-[(2s)-2-[[(2s)-4-(2,5-diketo-3,4,4-trimethyl-imidazolidin-1-yl)-2-mercapto-butanoyl]amino]-4-methyl-pentanoyl]-3,3-dimethyl-2-methylamino-butyramide
  • bms 275291
  • bms-275291
  • d 2163
  • l-valinamide, n-((2s)-2-mercapto-1-oxo-4-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-l-leucyl-n,3-dimethyl-
  • n-((2s)-2-mercapto-1-oxo-4-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-l-leucyl-n,3-dimethyl-l-valinamide
  • rebimastat
CAS Number(s)
  • 259188-38-0
InChIKey BWLOJMZLTBBDHA-HRCADAONSA-N
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