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

Systemtic Name: 2-[[1-(3-butanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3-butanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-methyl-1-oxo-3-(1-oxobutylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3-butanoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[3-(butyrylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C22H30N2O5S MolecularWeight: 434.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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