(E)-3-azanyl-6-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-4-oxidanylidene-3-phenyl-2-propyl-hex-5-enoic acid

Systemtic Name: (E)-3-azanyl-6-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-4-oxidanylidene-3-phenyl-2-propyl-hex-5-enoic acid Openeye Name: (E)-3-amino-6-(4-cyclopropylthiazol-2-yl)-2-methyl-4-oxo-3-phenyl-2-propyl-hex-5-enoic acid CAS Name: (E)-3-amino-6-(4-cyclopropyl-2-thiazolyl)-2-methyl-4-oxo-3-phenyl-2-propyl-5-hexenoic acid IUPAC Name: (E)-3-amino-6-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-4-oxo-3-phenyl-2-propylhex-5-enoic acid Traditional Name: (E)-3-amino-6-(4-cyclopropylthiazol-2-yl)-4-keto-2-methyl-3-phenyl-2-propyl-hex-5-enoic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)C(C1=CC=CC=C1)(C(=O)C=CC2=NC(=CS2)C3CC3)N

Isomeric SMILES

CCCC(C)(C(=O)O)C(C1=CC=CC=C1)(C(=O)/C=C/C2=NC(=CS2)C3CC3)N

InChI

InChI=1S/C22H26N2O3S/c1-3-13-21(2,20(26)27)22(23,16-7-5-4-6-8-16)18(25)11-12-19-24-17(14-28-19)15-9-10-15/h4-8,11-12,14-15H,3,9-10,13,23H2,1-2H3,(H,26,27)/b12-11+