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

Systemtic Name: 3-[2-[4-diazanyl-2-(2-hydroxyethylsulfonyl)phenyl]ethylamino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]ethylamino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[2-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]ethylamino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[2-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]ethylamino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[2-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]ethylamino]-3-keto-2-methyl-propionic acid Formula: C14H21N3O6S MolecularWeight: 359.39804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=C(C=C(C=C1)NN)S(=O)(=O)CCO)C(=O)O

Isomeric SMILES

CC(C(=O)NCCC1=C(C=C(C=C1)NN)S(=O)(=O)CCO)C(=O)O

InChI

InChI=1S/C14H21N3O6S/c1-9(14(20)21)13(19)16-5-4-10-2-3-11(17-15)8-12(10)24(22,23)7-6-18/h2-3,8-9,17-18H,4-7,15H2,1H3,(H,16,19)(H,20,21)