2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-4-methylpentanoic acid Traditional Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-valeric acid Formula: C17H25FN2O5S MolecularWeight: 388.454203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C17H25FN2O5S/c1-12(2)11-15(17(22)23)19-16(21)5-4-10-20(3)26(24,25)14-8-6-13(18)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,21)(H,22,23)