(2S,3S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-valeric acid Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-5-11(2)16(17(21)22)19-18(23)20-7-6-12-8-14(24-3)15(25-4)9-13(12)10-20/h8-9,11,16H,5-7,10H2,1-4H3,(H,19,23)(H,21,22)/t11-,16-/m0/s1