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

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C22H30N2O5S/c1-14(2)19(21(27)24-12-8-11-17(24)22(28)29-4)23-20(26)18(30-15(3)25)13-16-9-6-5-7-10-16/h5-7,9-10,14,17-19H,8,11-13H2,1-4H3,(H,23,26)/t17-,18-,19-/m0/s1