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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-14(2)23(28)22(15-8-9-20-21(11-15)33-13-32-20)24(29)27-19(25(30)31-3)10-16-12-26-18-7-5-4-6-17(16)18/h4-9,11-12,14,19,22-23,26,28H,10,13H2,1-3H3,(H,27,29)