(2S)-5-azanyl-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-5-keto-valeric acid Formula: C12H14ClN3O6S MolecularWeight: 363.77406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(CCC(=O)N)C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N[C@@H](CCC(=O)N)C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C12H14ClN3O6S/c13-7-2-1-6(5-9(7)23(15,21)22)11(18)16-8(12(19)20)3-4-10(14)17/h1-2,5,8H,3-4H2,(H2,14,17)(H,16,18)(H,19,20)(H2,15,21,22)/t8-/m0/s1