2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylmethoxyphenyl)methylsulfanyl]butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylmethoxyphenyl)methylsulfanyl]butanoic acid Openeye Name: 4-[(4-benzyloxyphenyl)methylsulfanyl]-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylmethoxyphenyl)methylthio]butanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylmethoxyphenyl)methylsulfanyl]butanoic acid Traditional Name: 4-[(4-benzoxybenzyl)thio]-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyric acid Formula: C29H35NO6S2 MolecularWeight: 557.7213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCSCC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN(C(CCSCC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H35NO6S2/c1-22(2)19-30(38(33,34)27-15-13-25(35-3)14-16-27)28(29(31)32)17-18-37-21-24-9-11-26(12-10-24)36-20-23-7-5-4-6-8-23/h4-16,22,28H,17-21H2,1-3H3,(H,31,32)