1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-sulfanyl-propyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-sulfanyl-propyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-sulfanyl-propyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde CAS Name: 2-(2-amino-3-mercaptopropyl)-1-(2-amino-3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-2-(2-amino-3-sulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Traditional Name: 2-(2-amino-3-mercapto-propyl)-1-(2-amino-3-methyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1CC(CS)N)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1CC(CS)N)C=O)N

InChI

InChI=1S/C18H27N3O2S/c1-11(2)16(20)18(23)17-15-6-4-3-5-12(15)7-14(9-22)21(17)8-13(19)10-24/h3-6,9,11,13-14,16-17,24H,7-8,10,19-20H2,1-2H3