(2R)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[(2S)-2-[[(1R)-1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[(2S)-2-[[(2R)-3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[(2S)-2-[[(1R)-1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propanoyl]proline Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CSCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)O

InChI

InChI=1S/C20H28N2O5S/c1-3-27-20(26)16(13-28-12-15-8-5-4-6-9-15)21-14(2)18(23)22-11-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17+/m0/s1