N-(3-Methylbutanoyl)-L-Valyl-N-[(3S,4S)-1-Ethoxy-3-Hydroxy-6-Methyl-1-Oxo-4-Heptanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C25H47N3O6
IUPAC Name ethyl (3s,4s)-3-hydroxy-6-methyl-4-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate
Molecular Mass 485.657 g·mol−1
Heat of Formation -1550.2 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 649.21 Å 3
Surface Area 497.64 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-3-hydroxy-4-[[(2s)-2-[[(2s)-2-(isovalerylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-6-methyl-enanthic acid ethyl ester
  • (3s,4s)-3-hydroxy-6-methyl-4-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]heptanoic acid ethyl ester
  • 3-hydroxy-6-methyl-4-(3-methyl-2-(3-methyl-2-(3-methyl-butyrylamino)-butyrylamino)-butyrylamino)-heptanoic acid ethyl ester
  • ethyl (3s,4s)-3-hydroxy-6-methyl-4-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate
  • ivs
InChIKey SMVMSLPPAGGLDL-ZZTDLJEGSA-N
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