(2S)-6-azanyl-2-[(4-sulfonylcyclohexa-1,5-dien-1-yl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[(4-sulfonylcyclohexa-1,5-dien-1-yl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[oxo-(4-sulfonyl-1-cyclohexa-1,5-dienyl)methyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]hexanoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=S(=O)=O)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1C=C(C=CC1=S(=O)=O)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c14-8-2-1-3-11(13(17)18)15-12(16)9-4-6-10(7-5-9)21(19)20/h4-6,11H,1-3,7-8,14H2,(H,15,16)(H,17,18)/t11-/m0/s1