methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-4-phenyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-4-phenyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-4-phenyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-1-oxo-4-phenylbutyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-4-phenylbutanoyl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-4-phenyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)OC)NC(=O)C(CCC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)[C@H](CCC2=CC=CC=C2)SC(=O)C

InChI

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