6-azanyl-2-[4-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[4-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]hexanoic acid Openeye Name: 6-amino-2-[4-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]hexanoic acid CAS Name: 6-amino-2-[[4-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]-1-oxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[4-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]hexanoic acid Traditional Name: 6-amino-2-[4-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]butanoylamino]hexanoic acid Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(N2)SCCCC(=O)NC(CCCCN)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(N2)SCCCC(=O)NC(CCCCN)C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H34N4O5S/c1-35-20-12-8-18(9-13-20)24-25(19-10-14-21(36-2)15-11-19)31-27(30-24)37-17-5-7-23(32)29-22(26(33)34)6-3-4-16-28/h8-15,22H,3-7,16-17,28H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)