1-(2-azanyl-3,3-dimethyl-butanoyl)-2-[pyrrolidin-2-yl-(triphenylmethyl)sulfanyl-methyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-2-[pyrrolidin-2-yl-(triphenylmethyl)sulfanyl-methyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-2-[pyrrolidin-2-yl(tritylsulfanyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-2-[2-pyrrolidinyl-[(triphenylmethyl)thio]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxaldehyde IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-2-[pyrrolidin-2-yl(tritylsulfanyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-2-[pyrrolidin-2-yl-(tritylthio)methyl]-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Formula: C40H45N3O2S MolecularWeight: 631.8692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(C3CCCN3)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(C3CCCN3)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=O)N

InChI

InChI=1S/C40H45N3O2S/c1-39(2,3)37(41)36(45)35-33-23-14-13-16-28(33)26-32(27-44)43(35)38(34-24-15-25-42-34)46-40(29-17-7-4-8-18-29,30-19-9-5-10-20-30)31-21-11-6-12-22-31/h4-14,16-23,27,32,34-35,37-38,42H,15,24-26,41H2,1-3H3