[4-[2-azanyl-3-[(3-bromanyl-4,5-dihydro-1,2-oxazol-4-yl)methyl-phenylmethoxycarbonyl-amino]-3-oxidanylidene-propyl]-2-phenylmethoxycarbonyloxy-phenyl] (phenylmethyl) carbonate

Systemtic Name: [4-[2-azanyl-3-[(3-bromanyl-4,5-dihydro-1,2-oxazol-4-yl)methyl-phenylmethoxycarbonyl-amino]-3-oxidanylidene-propyl]-2-phenylmethoxycarbonyloxy-phenyl] (phenylmethyl) carbonate Openeye Name: [4-[2-amino-3-[benzyloxycarbonyl-[(3-bromo-4,5-dihydroisoxazol-4-yl)methyl]amino]-3-oxo-propyl]-2-benzyloxycarbonyloxy-phenyl] benzyl carbonate CAS Name: carbonic acid [4-[2-amino-3-[(3-bromo-4,5-dihydroisoxazol-4-yl)methyl-phenylmethoxycarbonylamino]-3-oxopropyl]-2-phenylmethoxycarbonyloxyphenyl] (phenylmethyl) ester IUPAC Name: [4-[2-amino-3-[(3-bromo-4,5-dihydro-1,2-oxazol-4-yl)methyl-phenylmethoxycarbonylamino]-3-oxopropyl]-2-phenylmethoxycarbonyloxyphenyl] benzyl carbonate Traditional Name: carbonic acid [4-[2-amino-3-[(3-bromo-2-isoxazolin-4-yl)methyl-carbobenzoxy-amino]-3-keto-propyl]-2-carbobenzoxyoxy-phenyl] benzyl ester Formula: C37H34BrN3O10 MolecularWeight: 760.58396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NO1)Br)CN(C(=O)C(CC2=CC(=C(C=C2)OC(=O)OCC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C(C(=NO1)Br)CN(C(=O)C(CC2=CC(=C(C=C2)OC(=O)OCC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C37H34BrN3O10/c38-33-29(24-49-40-33)20-41(35(43)46-21-25-10-4-1-5-11-25)34(42)30(39)18-28-16-17-31(50-36(44)47-22-26-12-6-2-7-13-26)32(19-28)51-37(45)48-23-27-14-8-3-9-15-27/h1-17,19,29-30H,18,20-24,39H2