(3S)-5-diphenylphosphoryloxy-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-diphenylphosphoryloxy-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-diphenylphosphoryloxy-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: (3S)-5-diphenylphosphoryloxy-3-[[[(5R)-3-(1-isoquinolinyl)-5-propan-2-yl-4H-isoxazol-5-yl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-5-diphenylphosphoryloxy-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carbonyl]amino]-4-oxopentanoic acid Traditional Name: (3S)-5-diphenylphosphoryloxy-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-2-isoxazoline-5-carbonyl]amino]-4-keto-valeric acid Formula: C33H32N3O7P MolecularWeight: 613.596841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)COP(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)[C@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H32N3O7P/c1-22(2)33(20-28(36-43-33)31-26-16-10-9-11-23(26)17-18-34-31)32(40)35-27(19-30(38)39)29(37)21-42-44(41,24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-18,22,27H,19-21H2,1-2H3,(H,35,40)(H,38,39)/t27-,33+/m0/s1