6-azanyl-2-[2-[(3-bromanyl-1,2-oxazol-5-yl)carbonylamino]ethyl]-3-oxidanylidene-hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[(3-bromanyl-1,2-oxazol-5-yl)carbonylamino]ethyl]-3-oxidanylidene-hexanoic acid Openeye Name: 6-amino-2-[2-[(3-bromoisoxazole-5-carbonyl)amino]ethyl]-3-oxo-hexanoic acid CAS Name: 6-amino-2-[2-[[(3-bromo-5-isoxazolyl)-oxomethyl]amino]ethyl]-3-oxohexanoic acid IUPAC Name: 6-amino-2-[2-[(3-bromo-1,2-oxazole-5-carbonyl)amino]ethyl]-3-oxohexanoic acid Traditional Name: 6-amino-2-[2-[(3-bromoisoxazole-5-carbonyl)amino]ethyl]-3-keto-hexanoic acid Formula: C12H16BrN3O5 MolecularWeight: 362.17654

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(ON=C1Br)C(=O)NCCC(C(=O)CCCN)C(=O)O

Isomeric SMILES

C1=C(ON=C1Br)C(=O)NCCC(C(=O)CCCN)C(=O)O

InChI

InChI=1S/C12H16BrN3O5/c13-10-6-9(21-16-10)11(18)15-5-3-7(12(19)20)8(17)2-1-4-14/h6-7H,1-5,14H2,(H,15,18)(H,19,20)