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

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)O

InChI

InChI=1S/C27H30N2O6/c30-25(16-6-2-1-3-7-16)24(17-10-11-22-23(13-17)35-15-34-22)26(31)29-21(27(32)33)12-18-14-28-20-9-5-4-8-19(18)20/h4-5,8-11,13-14,16,21,24-25,28,30H,1-3,6-7,12,15H2,(H,29,31)(H,32,33)