(2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]amino]-3-methyl-butyric acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)(C)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C(C)(C)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C18H26N2O3/c1-12(2)15(16(21)22)19-17(23)18(3,4)20-10-9-13-7-5-6-8-14(13)11-20/h5-8,12,15H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t15-/m0/s1