bis(phenylmethyl) 2-[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]ethanoylamino]butanedioate

Systemtic Name: bis(phenylmethyl) 2-[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]ethanoylamino]butanedioate Openeye Name: dibenzyl 2-[[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]acetyl]amino]butanedioate CAS Name: 2-[[2-[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]-1-imidazolyl]-1-oxoethyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]acetyl]amino]butanedioate Traditional Name: 2-[[2-[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]imidazol-1-yl]acetyl]amino]succinic acid dibenzyl ester Formula: C35H43N5O5S MolecularWeight: 645.81142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC(=O)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC(=O)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H43N5O5S/c1-2-3-4-5-6-13-18-46-35-36-21-29(38-35)19-30-22-40(26-37-30)23-32(41)39-31(34(43)45-25-28-16-11-8-12-17-28)20-33(42)44-24-27-14-9-7-10-15-27/h7-12,14-17,21-22,26,31H,2-6,13,18-20,23-25H2,1H3,(H,36,38)(H,39,41)