4-azanyl-4-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[(4-piperidinosulfonylbenzoyl)amino]butyric acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C16H21N3O6S/c17-14(20)10-13(16(22)23)18-15(21)11-4-6-12(7-5-11)26(24,25)19-8-2-1-3-9-19/h4-7,13H,1-3,8-10H2,(H2,17,20)(H,18,21)(H,22,23)