(2S)-2-azanyl-5-oxidanylidene-5-[(2-oxidanyl-5-sulfo-phenyl)amino]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[(2-oxidanyl-5-sulfo-phenyl)amino]pentanoic acid Openeye Name: (2S)-2-amino-5-(2-hydroxy-5-sulfo-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(2-hydroxy-5-sulfoanilino)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(2-hydroxy-5-sulfoanilino)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-(2-hydroxy-5-sulfo-anilino)-5-keto-valeric acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)NC(=O)CCC(C(=O)O)N)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C11H14N2O7S/c12-7(11(16)17)2-4-10(15)13-8-5-6(21(18,19)20)1-3-9(8)14/h1,3,5,7,14H,2,4,12H2,(H,13,15)(H,16,17)(H,18,19,20)/t7-/m0/s1