4-[2-(1-adamantyl)ethyl]-3-azanyl-2-cyclohexyl-5-(1,3-thiazol-5-ylcarbonyl)benzoic acid

Systemtic Name: 4-[2-(1-adamantyl)ethyl]-3-azanyl-2-cyclohexyl-5-(1,3-thiazol-5-ylcarbonyl)benzoic acid Openeye Name: 4-[2-(1-adamantyl)ethyl]-3-amino-2-cyclohexyl-5-(thiazole-5-carbonyl)benzoic acid CAS Name: 4-[2-(1-adamantyl)ethyl]-3-amino-2-cyclohexyl-5-[oxo(5-thiazolyl)methyl]benzoic acid IUPAC Name: 4-[2-(1-adamantyl)ethyl]-3-amino-2-cyclohexyl-5-(1,3-thiazole-5-carbonyl)benzoic acid Traditional Name: 4-[2-(1-adamantyl)ethyl]-3-amino-2-cyclohexyl-5-(thiazole-5-carbonyl)benzoic acid Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=C(C=C2C(=O)O)C(=O)C3=CN=CS3)CCC45CC6CC(C4)CC(C6)C5)N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=C(C=C2C(=O)O)C(=O)C3=CN=CS3)CCC45CC6CC(C4)CC(C6)C5)N

InChI

InChI=1S/C29H36N2O3S/c30-26-21(6-7-29-12-17-8-18(13-29)10-19(9-17)14-29)22(27(32)24-15-31-16-35-24)11-23(28(33)34)25(26)20-4-2-1-3-5-20/h11,15-20H,1-10,12-14,30H2,(H,33,34)