2-[[phenethyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: 2-[[phenethyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: 3-benzylsulfanyl-2-[[2-benzylsulfanylethyl(phenethyl)carbamoyl]amino]propanoate CAS Name: 2-[[oxo-[phenethyl-[2-(phenylmethylthio)ethyl]amino]methyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: 3-benzylsulfanyl-2-[[2-benzylsulfanylethyl(phenethyl)carbamoyl]amino]propanoate Traditional Name: 3-(benzylthio)-2-[[2-(benzylthio)ethyl-phenethyl-carbamoyl]amino]propionate Formula: C28H31N2O3S2- MolecularWeight: 507.68734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCSCC2=CC=CC=C2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCSCC2=CC=CC=C2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C28H32N2O3S2/c31-27(32)26(22-35-21-25-14-8-3-9-15-25)29-28(33)30(17-16-23-10-4-1-5-11-23)18-19-34-20-24-12-6-2-7-13-24/h1-15,26H,16-22H2,(H,29,33)(H,31,32)/p-1