dimethyl (2S)-2-[2-(5-fluoranyl-1H-indol-3-yl)ethylcarbamoylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[2-(5-fluoranyl-1H-indol-3-yl)ethylcarbamoylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamoylamino]pentanedioate CAS Name: (2S)-2-[[[2-(5-fluoro-1H-indol-3-yl)ethylamino]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamoylamino]pentanedioate Traditional Name: (2S)-2-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamoylamino]glutaric acid dimethyl ester Formula: C18H22FN3O5 MolecularWeight: 379.382783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)NCCC1=CNC2=C1C=C(C=C2)F

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)NCCC1=CNC2=C1C=C(C=C2)F

InChI

InChI=1S/C18H22FN3O5/c1-26-16(23)6-5-15(17(24)27-2)22-18(25)20-8-7-11-10-21-14-4-3-12(19)9-13(11)14/h3-4,9-10,15,21H,5-8H2,1-2H3,(H2,20,22,25)/t15-/m0/s1