(E,3S)-6-ethoxy-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]-6-oxidanylidene-hex-4-enoic acid

Systemtic Name: (E,3S)-6-ethoxy-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]-6-oxidanylidene-hex-4-enoic acid Openeye Name: (E,3S)-6-ethoxy-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-6-oxo-hex-4-enoic acid CAS Name: (E,3S)-6-ethoxy-3-[[[(5R)-3-(1-isoquinolinyl)-5-propan-2-yl-4H-isoxazol-5-yl]-oxomethyl]amino]-6-oxo-4-hexenoic acid IUPAC Name: (E,3S)-6-ethoxy-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carbonyl]amino]-6-oxohex-4-enoic acid Traditional Name: (E,3S)-6-ethoxy-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-2-isoxazoline-5-carbonyl]amino]-6-keto-hex-4-enoic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC(=O)O)NC(=O)C1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(C)C

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC(=O)O)NC(=O)[C@@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C24H27N3O6/c1-4-32-21(30)10-9-17(13-20(28)29)26-23(31)24(15(2)3)14-19(27-33-24)22-18-8-6-5-7-16(18)11-12-25-22/h5-12,15,17H,4,13-14H2,1-3H3,(H,26,31)(H,28,29)/b10-9+/t17-,24-/m1/s1