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

Systemtic Name: N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide Openeye Name: N-(2-amino-3-phenyl-propanoyl)-N-[(3-ethylsulfanyl-4,5-dihydroisoxazol-5-yl)methyl]benzamide CAS Name: N-(2-amino-1-oxo-3-phenylpropyl)-N-[[3-(ethylthio)-4,5-dihydroisoxazol-5-yl]methyl]benzamide IUPAC Name: N-(2-amino-3-phenylpropanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide Traditional Name: N-[[3-(ethylthio)-2-isoxazolin-5-yl]methyl]-N-phenylalanyl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(C1)CN(C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCSC1=NOC(C1)CN(C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C22H25N3O3S/c1-2-29-20-14-18(28-24-20)15-25(21(26)17-11-7-4-8-12-17)22(27)19(23)13-16-9-5-3-6-10-16/h3-12,18-19H,2,13-15,23H2,1H3