2-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[1-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[1-[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]cyclopentyl]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[1-[[1-carboxy-3-(methylthio)propyl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butyric acid Formula: C22H31NO5S MolecularWeight: 421.55024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1(CCCC1)CC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1(CCCC1)CC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H31NO5S/c1-29-14-11-18(20(26)27)23-21(28)22(12-5-6-13-22)15-17(19(24)25)10-9-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,23,28)(H,24,25)(H,26,27)