Nalpha-[(1-Benzofuran-2-Ylmethoxy)Carbonyl]-α-Methyl-N-[(1S)-1-Phenylethyl]-D-Tryptophanamide

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Properties Simple | Detailed

Formula C30H29N3O4
IUPAC Name benzofuran-2-ylmethyl n-[(1r)-1-(2h-indol-1-ium-2-ylium-3-ylmethyl)-1-methyl-2-oxo-2-[[(1s)-1-phenylethyl]amino]ethyl]carbamate
Molecular Mass 495.569 g·mol−1
Heat of Formation -312.7 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 606.82 Å 3
Surface Area 456.32 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1-benzofuran-2-ylmethyl n-[(2r)-3-(1h-indol-3-yl)-2-methyl-1-oxo-1-[[(1s)-1-phenylethyl]amino]propan-2-yl]carbamate
  • benzofuran-2-ylmethyl n-[(1r)-1-(1h-indol-3-ylmethyl)-1-methyl-2-oxo-2-[[(1s)-1-phenylethyl]amino]ethyl]carbamate
  • n-[(1r)-1-(1h-indol-3-ylmethyl)-1-methyl-2-oxo-2-[[(1s)-1-phenylethyl]amino]ethyl]carbamic acid 2-benzofuranylmethyl ester
  • n-[(1r)-1-(1h-indol-3-ylmethyl)-2-keto-1-methyl-2-[[(1s)-1-phenylethyl]amino]ethyl]carbamic acid benzofuran-2-ylmethyl ester
InChIKey IVIQHHCTWSXXCT-WENCNXQZSA-N
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