2-[[1-(2-methyl-3-phenoxycarbonylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(2-methyl-3-phenoxycarbonylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(2-methyl-3-phenoxycarbonylsulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-methyl-1-oxo-3-[[oxo(phenoxy)methyl]thio]propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(2-methyl-3-phenoxycarbonylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[3-(carbophenoxythio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)OC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CSC(=O)OC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H28N2O6S/c1-17(16-34-25(32)33-19-11-6-3-7-12-19)23(29)27-14-8-13-21(27)22(28)26-20(24(30)31)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,28)(H,30,31)