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

Systemtic Name: (3S)-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-hex-5-enoic acid Openeye Name: (3S)-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-4-oxo-hex-5-enoic acid CAS Name: (3S)-3-[[[(5R)-3-(1-isoquinolinyl)-5-propan-2-yl-4H-isoxazol-5-yl]-oxomethyl]amino]-4-oxo-5-hexenoic acid IUPAC Name: (3S)-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carbonyl]amino]-4-oxohex-5-enoic acid Traditional Name: (3S)-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-2-isoxazoline-5-carbonyl]amino]-4-keto-hex-5-enoic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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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)C=C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-4-18(26)16(11-19(27)28)24-21(29)22(13(2)3)12-17(25-30-22)20-15-8-6-5-7-14(15)9-10-23-20/h4-10,13,16H,1,11-12H2,2-3H3,(H,24,29)(H,27,28)/t16-,22+/m0/s1