(2S)-1-[2-ethyl-4-oxidanylidene-4-phenylazanyl-3-[(phenylmethylsulfanyl)methyl]butanoyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-ethyl-4-oxidanylidene-4-phenylazanyl-3-[(phenylmethylsulfanyl)methyl]butanoyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-anilino-3-(benzylsulfanylmethyl)-2-ethyl-4-oxo-butanoyl]-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[4-anilino-2-ethyl-1,4-dioxo-3-[(phenylmethylthio)methyl]butyl]-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-anilino-3-(benzylsulfanylmethyl)-2-ethyl-4-oxobutanoyl]-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-anilino-3-[(benzylthio)methyl]-2-ethyl-4-keto-butanoyl]-5-keto-proline Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CSCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2)C(=O)N3C(CCC3=O)C(=O)O

Isomeric SMILES

CCC(C(CSCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2)C(=O)N3[C@@H](CCC3=O)C(=O)O

InChI

InChI=1S/C25H28N2O5S/c1-2-19(24(30)27-21(25(31)32)13-14-22(27)28)20(16-33-15-17-9-5-3-6-10-17)23(29)26-18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3,(H,26,29)(H,31,32)/t19?,20?,21-/m0/s1