(2S)-3-(1H-indol-3-yl)-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-keto-4-propyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C25H23N2O6- MolecularWeight: 447.45992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C25H24N2O6/c1-2-5-15-11-24(29)33-22-12-17(8-9-19(15)22)32-14-23(28)27-21(25(30)31)10-16-13-26-20-7-4-3-6-18(16)20/h3-4,6-9,11-13,21,26H,2,5,10,14H2,1H3,(H,27,28)(H,30,31)/p-1/t21-/m0/s1