N-(4-Morpholinylsulfonyl)-L-Phenylalanyl-3-(2-Amino-1,3-Thiazol-4-Yl)-N-{(2R,3R,4S)-1-[(1R)-3-Cyclohexen-1-Yl]-3,4-Dihydroxy-6-Methyl-2-Heptanyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C33H50N6O7S2
IUPAC Name (2s)-n-[(1s)-1-[(2-aminothiazol-4-yl)methyl]-2-[[(1r,2r,3s)-1-[[(1r)-cyclohex-3-en-1-yl]methyl]-2,3-dihydroxy-5-methyl-hexyl]amino]-2-oxo-ethyl]-2-(morpholinosulfonylamino)-3-phenyl-propanamide
Molecular Mass 706.916 g·mol−1
Heat of Formation -1196.9 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 861.58 Å 3
Surface Area 629.05 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(2-amino-1,3-thiazol-4-yl)-n-[(2r,3r,4s)-1-[(1r)-1-cyclohex-3-enyl]-3,4-dihydroxy-6-methyl-heptan-2-yl]-2-[[(2s)-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]propanamide
  • (2s)-3-(2-amino-1,3-thiazol-4-yl)-n-[(2r,3r,4s)-1-[(1r)-1-cyclohex-3-enyl]-3,4-dihydroxy-6-methylheptan-2-yl]-2-[[(2s)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]propanamide
  • (2s)-3-(2-amino-4-thiazolyl)-n-[(1r,2r,3s)-1-[[(1r)-1-cyclohex-3-enyl]methyl]-2,3-dihydroxy-5-methylhexyl]-2-[[(2s)-2-(morpholinosulfonylamino)-1-oxo-3-phenylpropyl]amino]propanamide
  • (2s)-3-(2-aminothiazol-4-yl)-n-[(1r,2r,3s)-1-[[(1r)-1-cyclohex-3-enyl]methyl]-2,3-dihydroxy-5-methyl-hexyl]-2-[[(2s)-2-(morpholinosulfonylamino)-3-phenyl-propanoyl]amino]propanamide
  • (2s)-3-(2-aminothiazol-4-yl)-n-[(1r,2r,3s)-1-[[(1r)-1-cyclohex-3-enyl]methyl]-2,3-dihydroxy-5-methyl-hexyl]-2-[[(2s)-2-(morpholinosulfonylamino)-3-phenyl-propanoyl]amino]propionamide
  • l1a
  • n-(morpholin-4-ylsulfonyl)-l-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-n-{(1r,2r,3s)-1-[(1r)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-l-alaninamide
InChIKey NZCOCZHRRKSGSQ-LUFJSDQJSA-N
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