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

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)OC)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C20H26N2O5S/c1-13(19(25)22-11-7-10-16(22)20(26)27-3)21-18(24)17(28-14(2)23)12-15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,21,24)/t13-,16-,17-/m0/s1