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

Systemtic Name: 9H-fluoren-9-ylmethyl N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-(2-amino-3-phenyl-propanoyl)-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]carbamate CAS Name: N-(2-amino-1-oxo-3-phenylpropyl)-N-[(3-bromo-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-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Traditional Name: N-[(3-bromo-2-isoxazolin-5-yl)methyl]-N-phenylalanyl-carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C28H26BrN3O4 MolecularWeight: 548.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1C(ON=C1Br)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C28H26BrN3O4/c29-26-15-19(36-31-26)16-32(27(33)25(30)14-18-8-2-1-3-9-18)28(34)35-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24-25H,14-17,30H2