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

Systemtic Name: 2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-methyl-3-[(2-methyl-1-oxopropyl)thio]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[3-(isobutyrylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H30N2O5S/c1-14(2)22(29)30-13-15(3)20(26)24-11-7-10-18(24)19(25)23-17(21(27)28)12-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3,(H,23,25)(H,27,28)