(2R)-2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-3-phenyl-2-[[2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetyl]amino]propionic acid Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N[C@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H25N3O4S/c1-2-33-20-14-12-19(13-15-20)29-23-11-7-6-10-21(23)28-26(29)34-17-24(30)27-22(25(31)32)16-18-8-4-3-5-9-18/h3-15,22H,2,16-17H2,1H3,(H,27,30)(H,31,32)/t22-/m1/s1