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

Systemtic Name: 2-[[phenethyl-[2-(phenyldisulfanyl)ethyl]carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[phenethyl-[2-(phenyldisulfanyl)ethyl]carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[phenethyl-[2-(phenyldisulfanyl)ethyl]amino]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[phenethyl-[2-(phenyldisulfanyl)ethyl]carbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[phenethyl-[2-(phenyldisulfanyl)ethyl]carbamoyl]amino]-3-phenyl-propionic acid Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCSSC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCSSC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H28N2O3S2/c29-25(30)24(20-22-12-6-2-7-13-22)27-26(31)28(17-16-21-10-4-1-5-11-21)18-19-32-33-23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,27,31)(H,29,30)