2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-pyrrolidin-2-ylcarbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-pyrrolidin-2-ylcarbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(pyrrolidine-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-[oxo(2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-(pyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-prolyl-amino]-3-phenyl-propionic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCN2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCN2

InChI

InChI=1S/C20H26N2O5S/c1-13(12-28-14(2)23)18(24)22(19(25)16-9-6-10-21-16)17(20(26)27)11-15-7-4-3-5-8-15/h3-5,7-8,13,16-17,21H,6,9-12H2,1-2H3,(H,26,27)