N-{[(3R,4S,7S,10S,11R)-3-Ethyl-11,15-Dihydroxy-7-Isopropyl-3-Methyl-10-(Methylamino)-6,9-Dioxo-2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(16),12,14-Trien-4-Yl]Carbonyl}Glycine

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Properties Simple | Detailed

Formula C23H34N4O8
IUPAC Name 2-[[(2r,3s,6s,9s,10r)-10-ethyl-2,13-dihydroxy-6-isopropyl-10-methyl-3-(methylamino)-4,7-dioxo-11-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-9-carbonyl]amino]acetic acid
Molecular Mass 494.538 g·mol−1
Heat of Formation -1492.7 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 589.92 Å 3
Surface Area 429.28 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (beta-r)-beta,3-dihydroxy-n-methyl-l-tyrosyl-l-valyl-3-hydroxy-l-isoleucylglycine cyclic (1(sup 3)-3)-ether
  • 2-[[(3r,4s,7s,10s,11r)-3-ethyl-11,15-dihydroxy-3-methyl-10-methylamino-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-4-yl]carbonylamino]ethanoic acid
  • 2-[[(3r,4s,7s,10s,11r)-3-ethyl-11,15-dihydroxy-3-methyl-10-methylamino-6,9-dioxo-7-propan-2-yl2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
  • 2-[[(3r,4s,7s,10s,11r)-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-methylamino-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
  • 2-[[(3r,4s,7s,10s,11r)-3-ethyl-11,15-dihydroxy-7-isopropyl-6,9-diketo-3-methyl-10-methylamino-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
  • 2-[[[(3r,4s,7s,10s,11r)-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-methylamino-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-4-yl]-oxomethyl]amino]acetic acid
  • glycine, (beta-r)-beta,3-dihydroxy-n-methyl-l-tyrosyl-l-valyl-3-hydroxy-l-isoleucyl-, cyclic (1(sup 3)-3)-ether
  • glycine, threo-beta,3-dihydroxy-n-methyl-l-tyrosyl-l-valyl-3-hydroxy-l-isoleucyl-, cyclic (1(3)-3)-ether
  • ustiloxin d
CAS Number(s)
  • 158243-18-6
InChIKey GDXLZSYACWZHOC-ZNRYNLAGSA-N
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