2-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C25H30N2O5/c1-16(2)13-21(24(29)30)26-22(25(31)32)14-17-7-9-19(10-8-17)23(28)27-12-11-18-5-3-4-6-20(18)15-27/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)(H,31,32)