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

Systemtic Name: (2S)-2-azanyl-5-[(4-methoxy-3-sulfo-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-(4-methoxy-3-sulfo-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(4-methoxy-3-sulfoanilino)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(4-methoxy-3-sulfoanilino)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-(4-methoxy-3-sulfo-anilino)valeric acid Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC(C(=O)O)N)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC[C@@H](C(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C12H16N2O7S/c1-21-9-4-2-7(6-10(9)22(18,19)20)14-11(15)5-3-8(13)12(16)17/h2,4,6,8H,3,5,13H2,1H3,(H,14,15)(H,16,17)(H,18,19,20)/t8-/m0/s1