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

Systemtic Name: S-(triphenylmethyl) 1-(2-azanyl-4-methyl-pentanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Openeye Name: S-trityl 1-(2-amino-4-methyl-pentanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate CAS Name: 1-(2-amino-4-methyl-1-oxopentyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 1-(2-amino-4-methylpentanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Traditional Name: 1-(2-amino-4-methyl-pentanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-trityl ester Formula: C38H42N2O2S MolecularWeight: 590.81728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC2=CC=CC=C2C1C(=O)C(CC(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(CC2=CC=CC=C2C1C(=O)C(CC(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H42N2O2S/c1-4-24-40-34(26-28-16-14-15-23-32(28)35(40)36(41)33(39)25-27(2)3)37(42)43-38(29-17-8-5-9-18-29,30-19-10-6-11-20-30)31-21-12-7-13-22-31/h5-23,27,33-35H,4,24-26,39H2,1-3H3