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

Systemtic Name: (2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propionate Formula: C24H21N2O6- MolecularWeight: 433.43334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-])C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-])C)C(=C1)O

InChI

InChI=1S/C24H22N2O6/c1-12-7-19(27)22-13(2)16(24(31)32-20(22)8-12)10-21(28)26-18(23(29)30)9-14-11-25-17-6-4-3-5-15(14)17/h3-8,11,18,25,27H,9-10H2,1-2H3,(H,26,28)(H,29,30)/p-1/t18-/m0/s1