[4-[[2-methylpropyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl-[(2R)-1-oxo-2-phenylbutyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl-[(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(CC2=CC=C(C=C2)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-5-22(20-10-8-7-9-11-20)23(25)24(16-18(3)4)17-19-12-14-21(15-13-19)28-29(26,27)6-2/h7-15,18,22H,5-6,16-17H2,1-4H3/t22-/m1/s1