(2S)-N-[(2S)-1-Amino-4-Methyl-1-Oxo-2-Pentanyl]-1-[(2S)-6-Amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Acetyl}Amino)Hexanoyl]-2-Pyrrolidinecarboxamide (Non-Preferred Name)

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Properties Simple | Detailed

Formula C25H45N5O8
IUPAC Name (2s)-1-[(2s)-6-amino-2-[[2-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]acetyl]amino]hexanoyl]-n-[(1s)-1-carbamoyl-3-methyl-butyl]pyrrolidine-2-carboxamide
Molecular Mass 543.653 g·mol−1
Heat of Formation -1692.7 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 688.34 Å 3
Surface Area 550.12 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-6-amino-1-oxo-2-[[1-oxo-2-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]ethyl]amino]hexyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2s)-6-amino-2-[[2-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]acetyl]amino]hexanoyl]-n-[(1s)-1-carbamoyl-3-methyl-butyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-1-amino-4-methyl-1-oxo-pentan-2-yl]-1-[(2s)-6-amino-2-[2-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]ethanoylamino]hexanoyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]-1-[(2s)-6-amino-2-[[2-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetyl]amino]hexanoyl]pyrrolidine-2-carboxamide
InChIKey GOIFOXKHMWJIPQ-OXQNIBOTSA-N
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