(2S)-2-azanyl-5-[(5-chloranyl-2-oxidanyl-3-sulfo-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[(5-chloranyl-2-oxidanyl-3-sulfo-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-(5-chloro-2-hydroxy-3-sulfo-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(5-chloro-2-hydroxy-3-sulfoanilino)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(5-chloro-2-hydroxy-3-sulfoanilino)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-(5-chloro-2-hydroxy-3-sulfo-anilino)-5-keto-valeric acid Formula: C11H13ClN2O7S MolecularWeight: 352.74812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O7S/c12-5-3-7(10(16)8(4-5)22(19,20)21)14-9(15)2-1-6(13)11(17)18/h3-4,6,16H,1-2,13H2,(H,14,15)(H,17,18)(H,19,20,21)/t6-/m0/s1