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

Systemtic Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O6/c32-26(18-6-2-1-3-7-18)30-22(12-17-10-11-24-25(13-17)37-16-36-24)27(33)31-23(28(34)35)14-19-15-29-21-9-5-4-8-20(19)21/h1-11,13,15,22-23,29H,12,14,16H2,(H,30,32)(H,31,33)(H,34,35)