(2S)-3-(1H-indol-3-yl)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C23H20N2O6/c1-12-19(26)7-6-16-13(10-21(28)31-22(12)16)9-20(27)25-18(23(29)30)8-14-11-24-17-5-3-2-4-15(14)17/h2-7,10-11,18,24,26H,8-9H2,1H3,(H,25,27)(H,29,30)/t18-/m0/s1