3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]-3-phenyl-azetidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(isoquinolin-1-ylcarbonylamino)-3-methyl-butanoyl]-3-phenyl-azetidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-3-phenyl-azetidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-3-phenyl-2-azetidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methylbutanoyl]-3-phenylazetidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(isoquinoline-1-carbonylamino)-3-methyl-butanoyl]-3-phenyl-azetidine-2-carbonyl]amino]-4-keto-butyric acid Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(C1C(=O)NC(CC(=O)O)C=O)C2=CC=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)N1CC(C1C(=O)NC(CC(=O)O)C=O)C2=CC=CC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C29H30N4O6/c1-17(2)24(32-27(37)25-21-11-7-6-10-19(21)12-13-30-25)29(39)33-15-22(18-8-4-3-5-9-18)26(33)28(38)31-20(16-34)14-23(35)36/h3-13,16-17,20,22,24,26H,14-15H2,1-2H3,(H,31,38)(H,32,37)(H,35,36)