1-({2-[(1S)-1-Aminoethyl]-1,3-Oxazol-4-Yl}Carbonyl)-L-Prolyl-L-Tryptophan

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Properties Simple | Detailed

Formula C22H25N5O5
IUPAC Name (2s)-2-[[(2s)-1-[2-[(1s)-1-azaniumylethyl]oxazole-4-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1h-indol-3-yl)propanoate
Molecular Mass 439.464 g·mol−1
Heat of Formation -599.9 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 518.75 Å 3
Surface Area 418.37 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-1-[2-[(1s)-1-aminoethyl]1,3-oxazole-4-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-[[(2s)-1-[2-[(1s)-1-aminoethyl]oxazole-4-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-[[(2s)-1-[2-[(1s)-1-aminoethyl]oxazole-4-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1h-indol-3-yl)propionic acid
  • (2s)-2-[[(2s)-1-[[2-[(1s)-1-aminoethyl]-1,3-oxazol-4-yl]carbonyl]pyrrolidin-2-yl]carbonylamino]-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-[[[(2s)-1-[[2-[(1s)-1-aminoethyl]-4-oxazolyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1h-indol-3-yl)propanoic acid
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InChIKey FBRCDLGEWAXPMI-IWEFOYFVSA-N
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