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

Systemtic Name: (2S)-5-azanyl-2-[(4-sulfonylcyclohexa-1,5-dien-1-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-5-amino-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]pentanoic acid CAS Name: (2S)-5-amino-2-[[oxo-(4-sulfonyl-1-cyclohexa-1,5-dienyl)methyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]pentanoic acid Traditional Name: (2S)-5-amino-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]valeric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c13-7-1-2-10(12(16)17)14-11(15)8-3-5-9(6-4-8)20(18)19/h3-5,10H,1-2,6-7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1