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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

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