(2S,3S)-2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-valerate Formula: C16H18FN2O3- MolecularWeight: 305.324123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC2=C(N1C)C=CC(=C2)F

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=CC2=C(N1C)C=CC(=C2)F

InChI

InChI=1S/C16H19FN2O3/c1-4-9(2)14(16(21)22)18-15(20)13-8-10-7-11(17)5-6-12(10)19(13)3/h5-9,14H,4H2,1-3H3,(H,18,20)(H,21,22)/p-1/t9-,14-/m0/s1