3-[1-[[3-(phenylmethoxycarbonylaminomethyl)phenyl]methyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[[3-(phenylmethoxycarbonylaminomethyl)phenyl]methyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[[3-(benzyloxycarbonylaminomethyl)phenyl]methyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[3-(phenylmethoxycarbonylaminomethyl)phenyl]methyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[[3-(phenylmethoxycarbonylaminomethyl)phenyl]methyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[3-(benzyloxycarbonylaminomethyl)benzyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C27H26N2O4S MolecularWeight: 474.57134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC2=CC=CC(=C2)CN3C(=CC=C3C4=CC=CS4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC2=CC=CC(=C2)CN3C(=CC=C3C4=CC=CS4)CCC(=O)O

InChI

InChI=1S/C27H26N2O4S/c30-26(31)14-12-23-11-13-24(25-10-5-15-34-25)29(23)18-22-9-4-8-21(16-22)17-28-27(32)33-19-20-6-2-1-3-7-20/h1-11,13,15-16H,12,14,17-19H2,(H,28,32)(H,30,31)