S-(triphenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbothioate

Systemtic Name: S-(triphenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Openeye Name: S-trityl 1-(2-amino-3-methyl-butanoyl)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbothioate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 1-(2-amino-3-methylbutanoyl)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-trityl ester Formula: C36H38N2O2S MolecularWeight: 562.76412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CC2=CC=CC=C2C1C(=O)C(C(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(CC2=CC=CC=C2C1C(=O)C(C(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H38N2O2S/c1-4-38-31(24-26-16-14-15-23-30(26)33(38)34(39)32(37)25(2)3)35(40)41-36(27-17-8-5-9-18-27,28-19-10-6-11-20-28)29-21-12-7-13-22-29/h5-23,25,31-33H,4,24,37H2,1-3H3