Ethyl (2S,6S)-4-[5-(2-Amino-5-Isobutyl-1,3-Thiazol-4-Yl)-2-Furyl]-2,6-Dimethyl-7-Oxo-8-Oxa-3,5-Diaza-4-Phosphadecan-1-Oate 4-Oxide

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Properties Simple | Detailed

Formula C21H34N4O6PS
IUPAC Name ethyl (2s)-2-[[[5-(2-amino-5-isobutyl-thiazol-3-ium-5-id-4-yl)-2-furyl]-[[(1s)-2-ethoxy-1-methyl-2-oxo-ethyl]amino]phosphoryl]amino]propanoate
Molecular Mass 501.557 g·mol−1
Heat of Formation -1109.8 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 601.55 Å 3
Surface Area 485.21 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[[5-(2-amino-5-isobutyl-4-thiazolyl)-2-furyl]-[[(1s)-2-ethoxy-1-methyl-2-oxoethyl]amino]phosphoryl]amino]propanoic acid ethyl ester
  • (2s)-2-[[[5-(2-amino-5-isobutyl-thiazol-4-yl)-2-furyl]-[[(1s)-2-ethoxy-2-keto-1-methyl-ethyl]amino]phosphoryl]amino]propionic acid ethyl ester
  • ethyl (2s)-2-[[[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]-[[(2s)-1-ethoxy-1-oxo-propan-2-yl]amino]phosphoryl]amino]propanoate
InChIKey BYKBUQDQTLDNLE-KBPBESRZSA-N
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