2-[[(2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-4-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-4-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-4-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-4-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-4-methyl-pentanoyl]amino]acetic acid Formula: C15H20ClN3O6S MolecularWeight: 405.8538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

InChI

InChI=1S/C15H20ClN3O6S/c1-8(2)5-11(15(23)18-7-13(20)21)19-14(22)9-3-4-10(16)12(6-9)26(17,24)25/h3-4,6,8,11H,5,7H2,1-2H3,(H,18,23)(H,19,22)(H,20,21)(H2,17,24,25)/t11-/m0/s1