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

Systemtic Name: (phenylmethyl) N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: benzyl N-(2-amino-3-phenyl-propanoyl)-N-[(3-ethylsulfanyl-4,5-dihydroisoxazol-5-yl)methyl]carbamate CAS Name: N-(2-amino-1-oxo-3-phenylpropyl)-N-[[3-(ethylthio)-4,5-dihydroisoxazol-5-yl]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-amino-3-phenylpropanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Traditional Name: N-[[3-(ethylthio)-2-isoxazolin-5-yl]methyl]-N-phenylalanyl-carbamic acid benzyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(C1)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCSC1=NOC(C1)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-2-31-21-14-19(30-25-21)15-26(23(28)29-16-18-11-7-4-8-12-18)22(27)20(24)13-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16,24H2,1H3