3-[bis(4-dimethylaminophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[bis(4-dimethylaminophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[bis(4-dimethylaminophenyl)methylsulfanyl]propanoic acid CAS Name: 3-[bis(4-dimethylaminophenyl)methylthio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[bis(4-dimethylaminophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[bis(4-dimethylaminophenyl)methylthio]propionic acid Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)SCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)SCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O4S/c1-30(2)23-14-10-21(11-15-23)26(22-12-16-24(17-13-22)31(3)4)36-19-25(27(32)33)29-28(34)35-18-20-8-6-5-7-9-20/h5-17,25-26H,18-19H2,1-4H3,(H,29,34)(H,32,33)