N-Methyl-L-Alanyl-N-[(2R)-2-(Methylamino)-3-Phenylpropanoyl]-4-Methylene-N-(2-Oxoethyl)-L-Norvalinamide

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Formula C22H32N4O4
IUPAC Name (2s)-4-methyl-n-[(2r)-2-(methylamino)-3-phenyl-propanoyl]-2-[[(2s)-2-(methylamino)propanoyl]amino]-n-(2-oxoethyl)pent-4-enamide
Molecular Mass 416.514 g·mol−1
Heat of Formation -615.2 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 540.06 Å 3
Surface Area 399.83 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-methyl-n-[(2r)-2-methylamino-1-oxo-3-phenylpropyl]-2-[[(2s)-2-methylamino-1-oxopropyl]amino]-n-(2-oxoethyl)pent-4-enamide
  • (2s)-4-methyl-n-[(2r)-2-methylamino-3-phenyl-propanoyl]-2-[[(2s)-2-methylaminopropanoyl]amino]-n-(2-oxoethyl)pent-4-enamide
  • (2s)-4-methyl-n-[(2r)-2-methylamino-3-phenylpropanoyl]-2-[[(2s)-2-methylaminopropanoyl]amino]-n-(2-oxoethyl)pent-4-enamide
  • (2s)-n-(2-ketoethyl)-4-methyl-n-[(2r)-2-methylamino-3-phenyl-propanoyl]-2-[[(2s)-2-methylaminopropanoyl]amino]pent-4-enamide
  • 1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone, 3-butyl-1,6,7-trimethyl-12-(phenylmethylene)-, (3s-(3r*,6r*,12e))-
  • cyclo(n-methyl-ala-leu-n-methyl-phe-gly)
  • cyclo(n-methyl-alanyl-leucyl-n-methyl-phenylalanyl-glycyl)
  • dihydrotentoxin
CAS Number(s)
  • 54987-63-2
InChIKey KMJMUFMAMDFUQZ-UHOSZYNNSA-N
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