2-[2-[(4-tert-butylsulfonyl-3-phenyl-butanoyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-[2-[(4-tert-butylsulfonyl-3-phenyl-butanoyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid Openeye Name: 2-[1-tert-butoxycarbonyl-2-[(4-tert-butylsulfonyl-3-phenyl-butanoyl)amino]imidazol-4-yl]propanoic acid CAS Name: 2-[2-[(4-tert-butylsulfonyl-1-oxo-3-phenylbutyl)amino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-[2-[(4-tert-butylsulfonyl-3-phenylbutanoyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid Traditional Name: 2-[1-tert-butoxycarbonyl-2-[(4-tert-butylsulfonyl-3-phenyl-butanoyl)amino]imidazol-4-yl]propionic acid Formula: C25H35N3O7S MolecularWeight: 521.6263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C(=N1)NC(=O)CC(CS(=O)(=O)C(C)(C)C)C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C1=CN(C(=N1)NC(=O)CC(CS(=O)(=O)C(C)(C)C)C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C25H35N3O7S/c1-16(21(30)31)19-14-28(23(32)35-24(2,3)4)22(26-19)27-20(29)13-18(17-11-9-8-10-12-17)15-36(33,34)25(5,6)7/h8-12,14,16,18H,13,15H2,1-7H3,(H,30,31)(H,26,27,29)