(2S)-3-(1H-indol-3-yl)-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C29H24N2O6 MolecularWeight: 496.51066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N2O6/c1-17(28(33)31-25(29(34)35)13-19-16-30-24-10-6-5-9-21(19)24)36-20-11-12-22-23(18-7-3-2-4-8-18)15-27(32)37-26(22)14-20/h2-12,14-17,25,30H,13H2,1H3,(H,31,33)(H,34,35)/t17?,25-/m0/s1