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

Systemtic Name: 2,4-bis[2-methylsulfanylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[2-methylsulfanylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[2-(methylthio)ethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[2-methylsulfanylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[2-(methylthio)ethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C40H42N2O8S2 MolecularWeight: 742.90008

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCSC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CSCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCSC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C40H42N2O8S2/c1-51-23-21-41(25-27-13-17-31(18-14-27)49-29-9-5-3-6-10-29)37(43)33-35(39(45)46)34(36(33)40(47)48)38(44)42(22-24-52-2)26-28-15-19-32(20-16-28)50-30-11-7-4-8-12-30/h3-20,33-36H,21-26H2,1-2H3,(H,45,46)(H,47,48)