2-[[2-(phenylmethyl)cyclohexyl]carbonylamino]-3-(4-thiomorpholin-4-ylcarbonyloxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(phenylmethyl)cyclohexyl]carbonylamino]-3-(4-thiomorpholin-4-ylcarbonyloxyphenyl)propanoic acid Openeye Name: 2-[(2-benzylcyclohexanecarbonyl)amino]-3-[4-(thiomorpholine-4-carbonyloxy)phenyl]propanoic acid CAS Name: 2-[[oxo-[2-(phenylmethyl)cyclohexyl]methyl]amino]-3-[4-[oxo(thiomorpholin-4-yl)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(2-benzylcyclohexanecarbonyl)amino]-3-[4-(thiomorpholine-4-carbonyloxy)phenyl]propanoic acid Traditional Name: 2-[(2-benzylcyclohexanecarbonyl)amino]-3-[4-(thiomorpholine-4-carbonyloxy)phenyl]propionic acid Formula: C28H34N2O5S MolecularWeight: 510.64496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCSCC4)C(=O)O

Isomeric SMILES

C1CCC(C(C1)CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCSCC4)C(=O)O

InChI

InChI=1S/C28H34N2O5S/c31-26(24-9-5-4-8-22(24)18-20-6-2-1-3-7-20)29-25(27(32)33)19-21-10-12-23(13-11-21)35-28(34)30-14-16-36-17-15-30/h1-3,6-7,10-13,22,24-25H,4-5,8-9,14-19H2,(H,29,31)(H,32,33)