tert-butyl N-(2-azanyl-3-phenylmethoxy-butanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

Systemtic Name: tert-butyl N-(2-azanyl-3-phenylmethoxy-butanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: tert-butyl N-(2-amino-3-benzyloxy-butanoyl)-N-[(3-ethylsulfanyl-4,5-dihydroisoxazol-5-yl)methyl]carbamate CAS Name: N-(2-amino-1-oxo-3-phenylmethoxybutyl)-N-[[3-(ethylthio)-4,5-dihydroisoxazol-5-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-amino-3-phenylmethoxybutanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Traditional Name: N-(2-amino-3-benzoxy-butanoyl)-N-[[3-(ethylthio)-2-isoxazolin-5-yl]methyl]carbamic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(C1)CN(C(=O)C(C(C)OCC2=CC=CC=C2)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCSC1=NOC(C1)CN(C(=O)C(C(C)OCC2=CC=CC=C2)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O5S/c1-6-31-18-12-17(30-24-18)13-25(21(27)29-22(3,4)5)20(26)19(23)15(2)28-14-16-10-8-7-9-11-16/h7-11,15,17,19H,6,12-14,23H2,1-5H3