S-[(1-methyl-2-phenyl-quinolin-1-ium-3-yl)methyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate

Systemtic Name: S-[(1-methyl-2-phenyl-quinolin-1-ium-3-yl)methyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate Openeye Name: S-[(1-methyl-2-phenyl-quinolin-1-ium-3-yl)methyl] (2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanethioic acid S-[(1-methyl-2-phenyl-3-quinolin-1-iumyl)methyl] ester IUPAC Name: S-[(1-methyl-2-phenylquinolin-1-ium-3-yl)methyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanethioate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioic acid S-[(1-methyl-2-phenyl-quinolin-1-ium-3-yl)methyl] ester Formula: C31H33N2O3S+ MolecularWeight: 513.67032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)SCC2=CC3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)SCC2=CC3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C

InChI

InChI=1S/C31H32N2O3S/c1-31(2,3)36-30(35)32-26(19-22-13-7-5-8-14-22)29(34)37-21-25-20-24-17-11-12-18-27(24)33(4)28(25)23-15-9-6-10-16-23/h5-18,20,26H,19,21H2,1-4H3/p+1/t26-/m1/s1