(2R)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-[[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]methylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-[[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]methylsulfanyl]propanoic acid Openeye Name: (2R)-2-(3H-benzimidazole-5-carbonylamino)-3-[[4-[4-(2-benzylbenzofuran-3-yl)phenyl]phenyl]methylsulfanyl]propanoic acid CAS Name: (2R)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-[[4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenyl]methylthio]propanoic acid IUPAC Name: (2R)-2-(3H-benzimidazole-5-carbonylamino)-3-[[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenyl]methylsulfanyl]propanoic acid Traditional Name: (2R)-2-(3H-benzimidazole-5-carbonylamino)-3-[[4-[4-(2-benzylbenzofuran-3-yl)phenyl]benzyl]thio]propionic acid Formula: C39H31N3O4S MolecularWeight: 637.74614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)NC(=O)C6=CC7=C(C=C6)N=CN7

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC=C(C=C5)CSC[C@@H](C(=O)O)NC(=O)C6=CC7=C(C=C6)N=CN7

InChI

InChI=1S/C39H31N3O4S/c43-38(30-18-19-32-33(21-30)41-24-40-32)42-34(39(44)45)23-47-22-26-10-12-27(13-11-26)28-14-16-29(17-15-28)37-31-8-4-5-9-35(31)46-36(37)20-25-6-2-1-3-7-25/h1-19,21,24,34H,20,22-23H2,(H,40,41)(H,42,43)(H,44,45)/t34-/m0/s1