3-[[4-[3-(1-adamantyl)phenyl]carbonyl-2-fluoranyl-phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[[4-[3-(1-adamantyl)phenyl]carbonyl-2-fluoranyl-phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-[[4-[3-(1-adamantyl)benzoyl]-2-fluoro-phenyl]methylsulfanyl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[[4-[[3-(1-adamantyl)phenyl]-oxomethyl]-2-fluorophenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-(1-adamantyl)benzoyl]-2-fluorophenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[[4-[3-(1-adamantyl)benzoyl]-2-fluoro-benzyl]thio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C32H38FNO5S MolecularWeight: 567.711223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4)F)C(=O)O

InChI

InChI=1S/C32H38FNO5S/c1-31(2,3)39-30(38)34-27(29(36)37)18-40-17-24-8-7-23(13-26(24)33)28(35)22-5-4-6-25(12-22)32-14-19-9-20(15-32)11-21(10-19)16-32/h4-8,12-13,19-21,27H,9-11,14-18H2,1-3H3,(H,34,38)(H,36,37)