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

Systemtic Name: (3S)-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-5-pyridin-2-yloxy-pentanoic acid Openeye Name: (3S)-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-4-oxo-5-(2-pyridyloxy)pentanoic acid CAS Name: (3S)-3-[[[(5R)-3-(1-isoquinolinyl)-5-propan-2-yl-4H-isoxazol-5-yl]-oxomethyl]amino]-4-oxo-5-(2-pyridinyloxy)pentanoic acid IUPAC Name: (3S)-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carbonyl]amino]-4-oxo-5-pyridin-2-yloxypentanoic acid Traditional Name: (3S)-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-2-isoxazoline-5-carbonyl]amino]-4-keto-5-(2-pyridyloxy)valeric acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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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)COC4=CC=CC=N4

Isomeric SMILES

CC(C)[C@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)O)C(=O)COC4=CC=CC=N4

InChI

InChI=1S/C26H26N4O6/c1-16(2)26(14-20(30-36-26)24-18-8-4-3-7-17(18)10-12-28-24)25(34)29-19(13-23(32)33)21(31)15-35-22-9-5-6-11-27-22/h3-12,16,19H,13-15H2,1-2H3,(H,29,34)(H,32,33)/t19-,26+/m0/s1