2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxypentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

CCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C23H24N2O6/c1-2-18(26)21(13-7-8-19-20(10-13)31-12-30-19)22(27)25-17(23(28)29)9-14-11-24-16-6-4-3-5-15(14)16/h3-8,10-11,17-18,21,24,26H,2,9,12H2,1H3,(H,25,27)(H,28,29)