methyl (2S)-2-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-3-hydroxypropanoate Traditional Name: (2S)-2-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O4/c1-28-21(27)18(12-25)23-19(26)11-10-16-15-4-2-3-5-17(15)24-20(16)13-6-8-14(22)9-7-13/h2-9,18,24-25H,10-12H2,1H3,(H,23,26)/t18-/m0/s1