N-(2-azanyl-3-methyl-butanoyl)-N-(3-methylsulfanylpropyl)-1-propyl-2-(triphenylmethyl)sulfanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-azanyl-3-methyl-butanoyl)-N-(3-methylsulfanylpropyl)-1-propyl-2-(triphenylmethyl)sulfanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-amino-3-methyl-butanoyl)-N-(3-methylsulfanylpropyl)-1-propyl-2-tritylsulfanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2-amino-3-methyl-1-oxobutyl)-N-[3-(methylthio)propyl]-1-propyl-2-[(triphenylmethyl)thio]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-amino-3-methylbutanoyl)-N-(3-methylsulfanylpropyl)-1-propyl-2-tritylsulfanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-amino-3-methyl-butanoyl)-N-[3-(methylthio)propyl]-1-propyl-2-(tritylthio)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C41H49N3O2S2 MolecularWeight: 679.97666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2CC(N1SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(CCCSC)C(=O)C(C(C)C)N

Isomeric SMILES

CCCC1C2=CC=CC=C2CC(N1SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(CCCSC)C(=O)C(C(C)C)N

InChI

InChI=1S/C41H49N3O2S2/c1-5-18-36-35-26-16-15-19-31(35)29-37(39(45)43(27-17-28-47-4)40(46)38(42)30(2)3)44(36)48-41(32-20-9-6-10-21-32,33-22-11-7-12-23-33)34-24-13-8-14-25-34/h6-16,19-26,30,36-38H,5,17-18,27-29,42H2,1-4H3