(phenylmethyl) 2-[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]-1-imidazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]imidazol-1-yl]acetyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C33H41N5O3S MolecularWeight: 587.77534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H41N5O3S/c1-2-3-4-5-6-13-18-42-33-34-21-28(36-33)20-29-22-38(25-35-29)23-31(39)37-30(19-26-14-9-7-10-15-26)32(40)41-24-27-16-11-8-12-17-27/h7-12,14-17,21-22,25,30H,2-6,13,18-20,23-24H2,1H3,(H,34,36)(H,37,39)