2-[[phenethyl(2-phenylmethoxycarbonylsulfanylethyl)carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[phenethyl(2-phenylmethoxycarbonylsulfanylethyl)carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-benzyloxycarbonylsulfanylethyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[phenethyl-[2-(phenylmethoxycarbonylthio)ethyl]amino]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[phenethyl(2-phenylmethoxycarbonylsulfanylethyl)carbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(carbobenzoxythio)ethyl-phenethyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCSC(=O)OCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCSC(=O)OCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H30N2O5S/c31-26(32)25(20-23-12-6-2-7-13-23)29-27(33)30(17-16-22-10-4-1-5-11-22)18-19-36-28(34)35-21-24-14-8-3-9-15-24/h1-15,25H,16-21H2,(H,29,33)(H,31,32)