4-azanyl-5-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[benzyloxycarbonyl-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl-phenylmethoxycarbonylamino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonylamino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[(3-bromo-2-isoxazolin-5-yl)methyl-carbobenzoxy-amino]-5-keto-valeric acid Formula: C17H20BrN3O6 MolecularWeight: 442.2612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CN(C(=O)C(CCC(=O)O)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(ON=C1Br)CN(C(=O)C(CCC(=O)O)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H20BrN3O6/c18-14-8-12(27-20-14)9-21(16(24)13(19)6-7-15(22)23)17(25)26-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,22,23)