2,4-bis[(4-phenoxyphenyl)methyl-[(1S)-1-phenylethyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[(4-phenoxyphenyl)methyl-[(1S)-1-phenylethyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[(4-phenoxyphenyl)methyl-[(1S)-1-phenylethyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[oxo-[(4-phenoxyphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[(4-phenoxyphenyl)methyl-[(1S)-1-phenylethyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[(4-phenoxybenzyl)-[(1S)-1-phenylethyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C50H46N2O8 MolecularWeight: 802.90884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)C(C)C7=CC=CC=C7)C(=O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)[C@@H](C)C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C50H46N2O8/c1-33(37-15-7-3-8-16-37)51(31-35-23-27-41(28-24-35)59-39-19-11-5-12-20-39)47(53)43-45(49(55)56)44(46(43)50(57)58)48(54)52(34(2)38-17-9-4-10-18-38)32-36-25-29-42(30-26-36)60-40-21-13-6-14-22-40/h3-30,33-34,43-46H,31-32H2,1-2H3,(H,55,56)(H,57,58)/t33-,34-,43?,44?,45?,46?/m0/s1