2-[(E)-1-azanyl-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-oxidanylidene-1-phenyl-but-3-enyl]-2-methyl-octanoic acid

Systemtic Name: 2-[(E)-1-azanyl-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-oxidanylidene-1-phenyl-but-3-enyl]-2-methyl-octanoic acid Openeye Name: 2-[(E)-1-amino-4-(4-cyclohexylthiazol-2-yl)-2-oxo-1-phenyl-but-3-enyl]-2-methyl-octanoic acid CAS Name: 2-[(E)-1-amino-4-(4-cyclohexyl-2-thiazolyl)-2-oxo-1-phenylbut-3-enyl]-2-methyloctanoic acid IUPAC Name: 2-[(E)-1-amino-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-oxo-1-phenylbut-3-enyl]-2-methyloctanoic acid Traditional Name: (E)-3-amino-6-(4-cyclohexylthiazol-2-yl)-2-hexyl-4-keto-2-methyl-3-phenyl-hex-5-enoic acid Formula: C28H38N2O3S MolecularWeight: 482.67792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(=O)O)C(C1=CC=CC=C1)(C(=O)C=CC2=NC(=CS2)C3CCCCC3)N

Isomeric SMILES

CCCCCCC(C)(C(=O)O)C(C1=CC=CC=C1)(C(=O)/C=C/C2=NC(=CS2)C3CCCCC3)N

InChI

InChI=1S/C28H38N2O3S/c1-3-4-5-12-19-27(2,26(32)33)28(29,22-15-10-7-11-16-22)24(31)17-18-25-30-23(20-34-25)21-13-8-6-9-14-21/h7,10-11,15-18,20-21H,3-6,8-9,12-14,19,29H2,1-2H3,(H,32,33)/b18-17+