2-[[2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O6/c1-13(2)22(27)21(14-7-8-19-20(10-14)32-12-31-19)23(28)26-18(24(29)30)9-15-11-25-17-6-4-3-5-16(15)17/h3-8,10-11,13,18,21-22,25,27H,9,12H2,1-2H3,(H,26,28)(H,29,30)