(2S,3R)-2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-valerate Formula: C17H23FN3O3- MolecularWeight: 336.381223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN3O3/c1-3-12(2)15(16(22)23)19-17(24)21-10-8-20(9-11-21)14-6-4-13(18)5-7-14/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,24)(H,22,23)/p-1/t12-,15+/m1/s1