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

Systemtic Name: methyl (2S)-1-[2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)OC

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C21H28N2O5S/c1-14(24)29-17(13-15-9-6-5-7-10-15)18(25)22-21(2,3)20(27)23-12-8-11-16(23)19(26)28-4/h5-7,9-10,16-17H,8,11-13H2,1-4H3,(H,22,25)/t16-,17-/m0/s1