S-[(2-phenylquinolin-3-yl)methyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate

Systemtic Name: S-[(2-phenylquinolin-3-yl)methyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate Openeye Name: S-[(2-phenyl-3-quinolyl)methyl] (2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanethioic acid S-[(2-phenyl-3-quinolinyl)methyl] ester IUPAC Name: S-[(2-phenylquinolin-3-yl)methyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanethioate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioic acid S-[(2-phenyl-3-quinolyl)methyl] ester Formula: C30H30N2O3S MolecularWeight: 498.6358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)SCC2=CC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)SCC2=CC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O3S/c1-30(2,3)35-29(34)32-26(18-21-12-6-4-7-13-21)28(33)36-20-24-19-23-16-10-11-17-25(23)31-27(24)22-14-8-5-9-15-22/h4-17,19,26H,18,20H2,1-3H3,(H,32,34)/t26-/m1/s1