(2S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-3-methyl-butyric acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H26N2O3/c1-15(2)20(22(26)27)23-21(25)18-9-5-6-16(12-18)13-24-11-10-17-7-3-4-8-19(17)14-24/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,23,25)(H,26,27)/t20-/m0/s1