methyl (2S,3S)-2-[2-(6-fluoranylindol-1-yl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[2-(6-fluoranylindol-1-yl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2-(6-fluoro-1-indolyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H21FN2O3 MolecularWeight: 320.358643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C=CC2=C1C=C(C=C2)F

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)CN1C=CC2=C1C=C(C=C2)F

InChI

InChI=1S/C17H21FN2O3/c1-4-11(2)16(17(22)23-3)19-15(21)10-20-8-7-12-5-6-13(18)9-14(12)20/h5-9,11,16H,4,10H2,1-3H3,(H,19,21)/t11-,16-/m0/s1