N-[1-(2-azanyl-3-methyl-butanoyl)-3-methanoyl-4-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide

Systemtic Name: N-[1-(2-azanyl-3-methyl-butanoyl)-3-methanoyl-4-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide Openeye Name: N-[1-(2-amino-3-methyl-butanoyl)-3-formyl-4-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide CAS Name: N-[1-(2-amino-3-methyl-1-oxobutyl)-3-formyl-4-(3-mercaptopropyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide IUPAC Name: N-[1-(2-amino-3-methylbutanoyl)-3-formyl-4-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Traditional Name: N-[1-(2-amino-3-methyl-butanoyl)-3-formyl-4-(3-mercaptopropyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2C(C(N1NC(=O)C)C=O)CCCS)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2C(C(N1NC(=O)C)C=O)CCCS)N

InChI

InChI=1S/C20H29N3O3S/c1-12(2)18(21)20(26)19-16-8-5-4-7-14(16)15(9-6-10-27)17(11-24)23(19)22-13(3)25/h4-5,7-8,11-12,15,17-19,27H,6,9-10,21H2,1-3H3,(H,22,25)