Taltobulin

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Properties Simple | Detailed

Formula C27H43N3O4
IUPAC Name (e,4s)-4-[[(2s)-3,3-dimethyl-2-[[(2s)-3-methyl-2-(methylamino)-3-phenyl-butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid
Molecular Mass 473.648 g·mol−1
Heat of Formation -863.4 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 625.08 Å 3
Surface Area 447.78 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-[[(2s)-3,3-dimethyl-2-[[(2s)-3-methyl-2-methylamino-1-oxo-3-phenylbutyl]amino]-1-oxobutyl]-methylamino]-2,5-dimethylhex-2-enoic acid
  • (e,4s)-4-[[(2s)-3,3-dimethyl-2-[[(2s)-3-methyl-2-methylamino-3-phenyl-butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid
  • (e,4s)-4-[[(2s)-3,3-dimethyl-2-[[(2s)-3-methyl-2-methylamino-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
  • d06001
  • taltobulin (usan)
CAS Number(s)
  • 228266-40-8
InChIKey CNTMOLDWXSVYKD-PSRNMDMQSA-N
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