(2S)-2-[(4-chloranyl-1H-pyrrol-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[(4-chloranyl-1H-pyrrol-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(4-chloro-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C11H10ClN4O3- MolecularWeight: 281.6751

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Cl)C(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=C(NC=C1Cl)C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C11H11ClN4O3/c12-6-1-8(14-3-6)10(17)16-9(11(18)19)2-7-4-13-5-15-7/h1,3-5,9,14H,2H2,(H,13,15)(H,16,17)(H,18,19)/p-1/t9-/m0/s1