(2S,3R)-2-[3-(6-fluoranylindol-1-yl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3R)-2-[3-(6-fluoranylindol-1-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[3-(6-fluoroindol-1-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[[3-(6-fluoro-1-indolyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[3-(6-fluoroindol-1-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[3-(6-fluoroindol-1-yl)propanoylamino]-3-methyl-valeric acid Formula: C17H21FN2O3 MolecularWeight: 320.358643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)F

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)F

InChI

InChI=1S/C17H21FN2O3/c1-3-11(2)16(17(22)23)19-15(21)7-9-20-8-6-12-4-5-13(18)10-14(12)20/h4-6,8,10-11,16H,3,7,9H2,1-2H3,(H,19,21)(H,22,23)/t11-,16+/m1/s1