(phenylmethyl) N-(2-azanyl-4-methylsulfanyl-butanoyl)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

Systemtic Name: (phenylmethyl) N-(2-azanyl-4-methylsulfanyl-butanoyl)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: benzyl N-(2-amino-4-methylsulfanyl-butanoyl)-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]carbamate CAS Name: N-[2-amino-4-(methylthio)-1-oxobutyl]-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-amino-4-methylsulfanylbutanoyl)-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Traditional Name: N-[2-amino-4-(methylthio)butanoyl]-N-[(3-bromo-2-isoxazolin-5-yl)methyl]carbamic acid benzyl ester Formula: C17H22BrN3O4S MolecularWeight: 444.34328

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N(CC1CC(=NO1)Br)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CSCCC(C(=O)N(CC1CC(=NO1)Br)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C17H22BrN3O4S/c1-26-8-7-14(19)16(22)21(10-13-9-15(18)20-25-13)17(23)24-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,19H2,1H3