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

Systemtic Name: S-(triphenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Openeye Name: S-trityl 1-(2-amino-3-methyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 1-(2-amino-3-methylbutanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-trityl ester Formula: C37H40N2O2S MolecularWeight: 576.7907

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(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

CCCN1C(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/C37H40N2O2S/c1-4-24-39-32(25-27-16-14-15-23-31(27)34(39)35(40)33(38)26(2)3)36(41)42-37(28-17-8-5-9-18-28,29-19-10-6-11-20-29)30-21-12-7-13-22-30/h5-23,26,32-34H,4,24-25,38H2,1-3H3