(2S)-5-azanyl-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-keto-valerate Formula: C10H11BrN3O4- MolecularWeight: 317.11604

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Br)C(=O)NC(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=C(NC=C1Br)C(=O)N[C@@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C10H12BrN3O4/c11-5-3-7(13-4-5)9(16)14-6(10(17)18)1-2-8(12)15/h3-4,6,13H,1-2H2,(H2,12,15)(H,14,16)(H,17,18)/p-1/t6-/m0/s1