2-[[2-(4-phenylmethoxyphenyl)ethyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]amino]propanoate

Systemtic Name: 2-[[2-(4-phenylmethoxyphenyl)ethyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]amino]propanoate Openeye Name: 2-[[2-(4-benzyloxyphenyl)ethyl-(2-benzylsulfanylethyl)carbamoyl]amino]propanoate CAS Name: 2-[[oxo-[2-(4-phenylmethoxyphenyl)ethyl-[2-(phenylmethylthio)ethyl]amino]methyl]amino]propanoate IUPAC Name: 2-[[2-benzylsulfanylethyl-[2-(4-phenylmethoxyphenyl)ethyl]carbamoyl]amino]propanoate Traditional Name: 2-[[2-(4-benzoxyphenyl)ethyl-[2-(benzylthio)ethyl]carbamoyl]amino]propionate Formula: C28H31N2O4S- MolecularWeight: 491.62174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N(CCC1=CC=C(C=C1)OCC2=CC=CC=C2)CCSCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)[O-])NC(=O)N(CCC1=CC=C(C=C1)OCC2=CC=CC=C2)CCSCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O4S/c1-22(27(31)32)29-28(33)30(18-19-35-21-25-10-6-3-7-11-25)17-16-23-12-14-26(15-13-23)34-20-24-8-4-2-5-9-24/h2-15,22H,16-21H2,1H3,(H,29,33)(H,31,32)/p-1