[4-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-[(2R)-1-oxo-2-phenylbutyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C23H31NO4S/c1-5-22(20-9-7-6-8-10-20)23(25)24(16-15-18(2)3)17-19-11-13-21(14-12-19)28-29(4,26)27/h6-14,18,22H,5,15-17H2,1-4H3/t22-/m1/s1