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

Systemtic Name: (phenylmethyl) N-(2-azanyl-3-oxidanyl-butanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: benzyl N-(2-amino-3-hydroxy-butanoyl)-N-[(3-ethylsulfanyl-4,5-dihydroisoxazol-5-yl)methyl]carbamate CAS Name: N-(2-amino-3-hydroxy-1-oxobutyl)-N-[[3-(ethylthio)-4,5-dihydroisoxazol-5-yl]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-amino-3-hydroxybutanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Traditional Name: N-(2-amino-3-hydroxy-butanoyl)-N-[[3-(ethylthio)-2-isoxazolin-5-yl]methyl]carbamic acid benzyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-3-27-15-9-14(26-20-15)10-21(17(23)16(19)12(2)22)18(24)25-11-13-7-5-4-6-8-13/h4-8,12,14,16,22H,3,9-11,19H2,1-2H3