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CHEBI:105006 - (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid

ChEBI IDCHEBI:105006
ChEBI Name(2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid
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DownloadsMolfile
FormulaC27H22N2O6
Net Charge0
Average Mass470.481
Monoisotopic Mass470.14779
SMILESCc1c(OCC(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)O)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C27H22N2O6/c1-15-23(11-10-19-18-7-2-3-8-20(18)27(33)35-25(15)19)34-14-24(30)29-22(26(31)32)12-16-13-28-21-9-5-4-6-17(16)21/h2-11,13,22,28H,12,14H2,1H3,(H,29,30)(H,31,32)/t22-/m0/s1
InChIKeyKPSVCBXPHRRKCB-QFIPXVFZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid (CHEBI:105006) is a N-acyl-L-amino acid (CHEBI:21644)
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