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

Systemtic Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H26N2O6/c1-4-16-12-23(29)34-24-14(2)22(10-9-19(16)24)33-15(3)25(30)28-21(26(31)32)11-17-13-27-20-8-6-5-7-18(17)20/h5-10,12-13,15,21,27H,4,11H2,1-3H3,(H,28,30)(H,31,32)/t15?,21-/m0/s1