methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)OC)O)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC(C[C@H]1C(=O)OC)O)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C22H30N2O6S/c1-13(2)19(21(28)24-12-16(26)11-17(24)22(29)30-4)23-20(27)18(31-14(3)25)10-15-8-6-5-7-9-15/h5-9,13,16-19,26H,10-12H2,1-4H3,(H,23,27)/t16?,17-,18-,19-/m0/s1