3,4-bis(azanyl)-2-[[3-[2-(2-cyclopentyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]butanoic acid

Systemtic Name: 3,4-bis(azanyl)-2-[[3-[2-(2-cyclopentyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]butanoic acid Openeye Name: 3,4-diamino-2-[[3-[2-(2-cyclopentyl-5-methyl-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]butanoic acid CAS Name: 3,4-diamino-2-[[3-[2-(2-cyclopentyl-5-methyl-4-oxazolyl)ethoxy]phenyl]methylthio]butanoic acid IUPAC Name: 3,4-diamino-2-[[3-[2-(2-cyclopentyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]butanoic acid Traditional Name: 3,4-diamino-2-[[3-[2-(2-cyclopentyl-5-methyl-oxazol-4-yl)ethoxy]benzyl]thio]butyric acid Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2CCCC2)CCOC3=CC=CC(=C3)CSC(C(CN)N)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2CCCC2)CCOC3=CC=CC(=C3)CSC(C(CN)N)C(=O)O

InChI

InChI=1S/C22H31N3O4S/c1-14-19(25-21(29-14)16-6-2-3-7-16)9-10-28-17-8-4-5-15(11-17)13-30-20(22(26)27)18(24)12-23/h4-5,8,11,16,18,20H,2-3,6-7,9-10,12-13,23-24H2,1H3,(H,26,27)