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

Systemtic Name: tert-butyl N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-5-28-17-12-15(27-22-17)13-23(19(25)26-20(2,3)4)18(24)16(21)11-14-9-7-6-8-10-14/h6-10,15-16H,5,11-13,21H2,1-4H3