ethyl (2S)-2-azanyl-6-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]hexanoate

Systemtic Name: ethyl (2S)-2-azanyl-6-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]hexanoate Openeye Name: ethyl (2S)-2-amino-6-[(4-bromo-1H-pyrrole-2-carbonyl)amino]hexanoate CAS Name: (2S)-2-amino-6-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-6-[(4-bromo-1H-pyrrole-2-carbonyl)amino]hexanoate Traditional Name: (2S)-2-amino-6-[(4-bromo-1H-pyrrole-2-carbonyl)amino]hexanoic acid ethyl ester Formula: C13H20BrN3O3 MolecularWeight: 346.2202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNC(=O)C1=CC(=CN1)Br)N

Isomeric SMILES

CCOC(=O)[C@H](CCCCNC(=O)C1=CC(=CN1)Br)N

InChI

InChI=1S/C13H20BrN3O3/c1-2-20-13(19)10(15)5-3-4-6-16-12(18)11-7-9(14)8-17-11/h7-8,10,17H,2-6,15H2,1H3,(H,16,18)/t10-/m0/s1