methyl (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-valeric acid methyl ester Formula: C18H27FN2O5S MolecularWeight: 402.480783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C18H27FN2O5S/c1-13(2)12-16(18(23)26-4)20-17(22)6-5-11-21(3)27(24,25)15-9-7-14(19)8-10-15/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,22)/t16-/m0/s1