N-Acetyl-S-[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]-L-Cysteinyl-L-Valyl-L-Isoleucyl-L-Methionine

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Properties Simple | Detailed

Formula C36H62N4O6S2
IUPAC Name (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2r)-2-acetamido-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid
Molecular Mass 711.031 g·mol−1
Heat of Formation -1381.6 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 941.68 Å 3
Surface Area 769.5 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2r)-2-acetamido-1-oxo-3-[[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-(methylthio)butanoic acid
  • (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2r)-2-acetamido-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid
  • (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2r)-2-acetamido-3-[[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid
  • 2nh
  • n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine
InChIKey LZZSZMJTHYOSLN-UNXIWMFYSA-N
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