(phenylmethyl) 6-[2-azanyl-3-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-3-oxidanylidene-propyl]-2-oxidanyl-3-phenylmethoxycarbonyloxy-benzoate

Systemtic Name: (phenylmethyl) 6-[2-azanyl-3-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-3-oxidanylidene-propyl]-2-oxidanyl-3-phenylmethoxycarbonyloxy-benzoate Openeye Name: benzyl 6-[2-amino-3-[benzyloxycarbonyl-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]amino]-3-oxo-propyl]-3-benzyloxycarbonyloxy-2-hydroxy-benzoate CAS Name: 6-[2-amino-3-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl-phenylmethoxycarbonylamino]-3-oxopropyl]-2-hydroxy-3-phenylmethoxycarbonyloxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[2-amino-3-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonylamino]-3-oxopropyl]-2-hydroxy-3-phenylmethoxycarbonyloxybenzoate Traditional Name: 6-[2-amino-3-[(3-bromo-2-isoxazolin-5-yl)methyl-carbobenzoxy-amino]-3-keto-propyl]-3-carbobenzoxyoxy-2-hydroxy-benzoic acid benzyl ester Formula: C37H34BrN3O10 MolecularWeight: 760.58396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CN(C(=O)C(CC2=C(C(=C(C=C2)OC(=O)OCC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C(ON=C1Br)CN(C(=O)C(CC2=C(C(=C(C=C2)OC(=O)OCC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4)N)C(=O)OCC5=CC=CC=C5

InChI

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