S-(2-azanyl-3-phenyl-propyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanethioate

Systemtic Name: S-(2-azanyl-3-phenyl-propyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanethioate Openeye Name: S-(2-amino-3-phenyl-propyl) 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanethioate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]ethanethioic acid S-(2-amino-3-phenylpropyl) ester IUPAC Name: S-(2-amino-3-phenylpropyl) 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]ethanethioate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]ethanethioic acid S-(2-amino-3-phenyl-propyl) ester Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)SCC(CC2=CC=CC=C2)N

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)SCC(CC2=CC=CC=C2)N

InChI

InChI=1S/C23H28N2O3S2/c1-17(26)29-15-20(12-18-8-4-2-5-9-18)23(28)25-14-22(27)30-16-21(24)13-19-10-6-3-7-11-19/h2-11,20-21H,12-16,24H2,1H3,(H,25,28)