(3R,5R,6R)-3-Amino-N-[(3Z)-3-Amino-3-Iminopropyl]-6-[(2E,4E)-2,4-Hexadienoylamino]-5-Hydroxyheptanamide

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Properties Simple | Detailed

Formula C16H29N5O3
IUPAC Name (3r,5r,6r)-3-amino-n-(3-amino-3-imino-propyl)-6-[[(2e,4e)-hexa-2,4-dienoyl]amino]-5-hydroxy-heptanamide
Molecular Mass 339.433 g·mol−1
Heat of Formation -544.1 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 458.3 Å 3
Surface Area 362.89 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-n-[(1r,2r,4r)-4-amino-6-[(3-amino-3-imino-propyl)amino]-2-hydroxy-6-keto-1-methyl-hexyl]hexa-2,4-dienamide
  • (3r,5r,6r)-3-amino-n-(3-amino-3-imino-propyl)-6-[[(2e,4e)-hexa-2,4-dienoyl]amino]-5-hydroxy-heptanamide
  • (3r,5r,6r)-3-amino-n-(3-amino-3-iminopropyl)-5-hydroxy-6-[[(2e,4e)-1-oxohexa-2,4-dienyl]amino]heptanamide
  • (3r,5r,6r)-3-amino-n-(3-amino-3-iminopropyl)-6-[[(2e,4e)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
  • d-xylo-heptonamide, 3-amino-n-(3-amino-3-iminopropyl)-2,3,4,6,7-pentadeoxy-6-((1-oxo-2,4-hexadienyl)amino)-, (e,e)-
  • sperabillin d
CAS Number(s)
  • 111465-40-8
InChIKey HGBIYXQMCATWPJ-PXRNKZPESA-N
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