(2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate Traditional Name: (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C24H21N2O7- MolecularWeight: 449.43274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CNC4=C3C=C(C=C4)O)C(=O)[O-])C

InChI

InChI=1S/C24H22N2O7/c1-12-13(2)24(31)33-21-9-16(4-5-17(12)21)32-11-22(28)26-20(23(29)30)7-14-10-25-19-6-3-15(27)8-18(14)19/h3-6,8-10,20,25,27H,7,11H2,1-2H3,(H,26,28)(H,29,30)/p-1/t20-/m0/s1