5-azanyl-2-[(4-bromanyl-1-propyl-pyrrol-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-bromanyl-1-propyl-pyrrol-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-bromo-1-propyl-pyrrole-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(4-bromo-1-propyl-2-pyrrolyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(4-bromo-1-propyl-pyrrole-2-carbonyl)amino]-5-keto-valeric acid Formula: C13H18BrN3O4 MolecularWeight: 360.20372

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NC(CCC(=O)N)C(=O)O)Br

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NC(CCC(=O)N)C(=O)O)Br

InChI

InChI=1S/C13H18BrN3O4/c1-2-5-17-7-8(14)6-10(17)12(19)16-9(13(20)21)3-4-11(15)18/h6-7,9H,2-5H2,1H3,(H2,15,18)(H,16,19)(H,20,21)