(2S)-2-azanyl-5-[(3-chloranyl-4-methyl-5-sulfo-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[(3-chloranyl-4-methyl-5-sulfo-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-(3-chloro-4-methyl-5-sulfo-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(3-chloro-4-methyl-5-sulfoanilino)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(3-chloro-4-methyl-5-sulfoanilino)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-(3-chloro-4-methyl-5-sulfo-anilino)-5-keto-valeric acid Formula: C12H15ClN2O6S MolecularWeight: 350.7753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)NC(=O)CCC(C(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1Cl)NC(=O)CC[C@@H](C(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C12H15ClN2O6S/c1-6-8(13)4-7(5-10(6)22(19,20)21)15-11(16)3-2-9(14)12(17)18/h4-5,9H,2-3,14H2,1H3,(H,15,16)(H,17,18)(H,19,20,21)/t9-/m0/s1