methyl 1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]propanoyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]propanoyl]piperidine-2-carboxylate Openeye Name: methyl 1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]propanoyl]piperidine-2-carboxylate CAS Name: 1-[(2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]propanoyl]piperidine-2-carboxylate Traditional Name: 1-[(2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]propanoyl]pipecolinic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1C(=O)OC)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C21H28N2O5S/c1-14(20(26)23-12-8-7-11-17(23)21(27)28-3)22-19(25)18(29-15(2)24)13-16-9-5-4-6-10-16/h4-6,9-10,14,17-18H,7-8,11-13H2,1-3H3,(H,22,25)/t14-,17?,18-/m0/s1