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

Systemtic Name: 2-[[1-[2-methyl-3-(2-phenylethanoylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[2-methyl-3-(2-phenylacetyl)sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-methyl-1-oxo-3-[(1-oxo-2-phenylethyl)thio]propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[2-methyl-3-(2-phenylacetyl)sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[2-methyl-3-[(2-phenylacetyl)thio]propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H30N2O5S/c1-18(17-34-23(29)16-20-11-6-3-7-12-20)25(31)28-14-8-13-22(28)24(30)27-21(26(32)33)15-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17H2,1H3,(H,27,30)(H,32,33)