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

Systemtic Name: S-[2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]ethyl] ester IUPAC Name: S-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]ethyl] ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCNC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(=O)SCCNC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C13H18N2O2S/c1-10(16)18-8-7-15-13(17)12(14)9-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3,(H,15,17)/t12-/m0/s1