9H-fluoren-9-ylmethyl N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl 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 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 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 9H-fluoren-9-ylmethyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(C1)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CCSC1=NOC(C1)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C30H31N3O4S/c1-2-38-28-17-21(37-32-28)18-33(29(34)27(31)16-20-10-4-3-5-11-20)30(35)36-19-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-15,21,26-27H,2,16-19,31H2,1H3