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

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxypropanoylamino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxypropanoylamino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C27H28N2O6/c1-4-7-17-13-24(30)35-25-15(2)23(11-10-20(17)25)34-16(3)26(31)29-22(27(32)33)12-18-14-28-21-9-6-5-8-19(18)21/h5-6,8-11,13-14,16,22,28H,4,7,12H2,1-3H3,(H,29,31)(H,32,33)/t16?,22-/m0/s1