2,4-bis[[(2R)-2-methyl-5-phenyl-pentyl]-(phenylmethyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[[(2R)-2-methyl-5-phenyl-pentyl]-(phenylmethyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[benzyl-[(2R)-2-methyl-5-phenyl-pentyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[[(2R)-2-methyl-5-phenylpentyl]-(phenylmethyl)amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[benzyl-[(2R)-2-methyl-5-phenylpentyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[benzyl-[(2R)-2-methyl-5-phenyl-pentyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C46H54N2O6 MolecularWeight: 730.93076

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)CN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CC4=CC=CC=C4)CC(C)CCCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C[C@H](CCCC1=CC=CC=C1)CN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CC4=CC=CC=C4)C[C@H](C)CCCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C46H54N2O6/c1-33(17-15-27-35-19-7-3-8-20-35)29-47(31-37-23-11-5-12-24-37)43(49)39-41(45(51)52)40(42(39)46(53)54)44(50)48(32-38-25-13-6-14-26-38)30-34(2)18-16-28-36-21-9-4-10-22-36/h3-14,19-26,33-34,39-42H,15-18,27-32H2,1-2H3,(H,51,52)(H,53,54)/t33-,34-,39?,40?,41?,42?/m1/s1