(2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]-3-(1H-indol-3-yl)propionate Formula: C25H23N2O6- MolecularWeight: 447.45992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C25H24N2O6/c1-13-16-7-9-21(28)14(2)23(16)33-25(32)17(13)8-10-22(29)27-20(24(30)31)11-15-12-26-19-6-4-3-5-18(15)19/h3-7,9,12,20,26,28H,8,10-11H2,1-2H3,(H,27,29)(H,30,31)/p-1/t20-/m0/s1