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

Systemtic Name: 2-[[1-[3-(diethylcarbamoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[3-(diethylcarbamoylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[3-[[diethylamino(oxo)methyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[3-(diethylcarbamoylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[3-(diethylcarbamoylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C23H33N3O5S MolecularWeight: 463.59022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5S/c1-4-25(5-2)23(31)32-15-16(3)21(28)26-13-9-12-19(26)20(27)24-18(22(29)30)14-17-10-7-6-8-11-17/h6-8,10-11,16,18-19H,4-5,9,12-15H2,1-3H3,(H,24,27)(H,29,30)