1-(2-azanyl-3-methyl-butanoyl)-2-[3-(triphenylmethyl)sulfanylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-2-[3-(triphenylmethyl)sulfanylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-2-(3-tritylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-2-[1-oxo-3-[(triphenylmethyl)thio]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-2-(3-tritylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3-methyl-butanoyl)-2-[3-(tritylthio)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Formula: C37H38N2O3S MolecularWeight: 590.77422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)CCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)CCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=O)N

InChI

InChI=1S/C37H38N2O3S/c1-26(2)34(38)36(42)35-32-21-13-12-14-27(32)24-31(25-40)39(35)33(41)22-23-43-37(28-15-6-3-7-16-28,29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-21,25-26,31,34-35H,22-24,38H2,1-2H3