3-[2-[2-[4-diazanyl-2-(2-hydroxyethylsulfonyl)phenyl]ethylsulfonyl]ethylamino]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-[2-[4-diazanyl-2-(2-hydroxyethylsulfonyl)phenyl]ethylsulfonyl]ethylamino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-[2-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]ethylsulfonyl]ethylamino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[2-[2-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]ethylsulfonyl]ethylamino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[2-[2-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]ethylsulfonyl]ethylamino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[2-[2-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]ethylsulfonyl]ethylamino]-3-keto-2-methyl-propionic acid Formula: C16H25N3O8S2 MolecularWeight: 451.515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCS(=O)(=O)CCC1=C(C=C(C=C1)NN)S(=O)(=O)CCO)C(=O)O

Isomeric SMILES

CC(C(=O)NCCS(=O)(=O)CCC1=C(C=C(C=C1)NN)S(=O)(=O)CCO)C(=O)O

InChI

InChI=1S/C16H25N3O8S2/c1-11(16(22)23)15(21)18-5-8-28(24,25)7-4-12-2-3-13(19-17)10-14(12)29(26,27)9-6-20/h2-3,10-11,19-20H,4-9,17H2,1H3,(H,18,21)(H,22,23)