methyl 2-[(2-azanyl-6-bromanyl-5-oxidanylidene-hexanoyl)-phenylmethoxycarbonyl-amino]ethanoate

Systemtic Name: methyl 2-[(2-azanyl-6-bromanyl-5-oxidanylidene-hexanoyl)-phenylmethoxycarbonyl-amino]ethanoate Openeye Name: methyl 2-[(2-amino-6-bromo-5-oxo-hexanoyl)-benzyloxycarbonyl-amino]acetate CAS Name: 2-[(2-amino-6-bromo-1,5-dioxohexyl)-phenylmethoxycarbonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-6-bromo-5-oxohexanoyl)-phenylmethoxycarbonylamino]acetate Traditional Name: 2-[(2-amino-6-bromo-5-keto-hexanoyl)-carbobenzoxy-amino]acetic acid methyl ester Formula: C17H21BrN2O6 MolecularWeight: 429.26244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C(=O)C(CCC(=O)CBr)N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CN(C(=O)C(CCC(=O)CBr)N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H21BrN2O6/c1-25-15(22)10-20(16(23)14(19)8-7-13(21)9-18)17(24)26-11-12-5-3-2-4-6-12/h2-6,14H,7-11,19H2,1H3