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

Systemtic Name: 3-[3-[4-diazanyl-2-(2-hydroxyethylsulfonyl)phenyl]propylamino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]propylamino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[3-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]propylamino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[3-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]propylamino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[3-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]propylamino]-3-keto-2-methyl-propionic acid Formula: C15H23N3O6S MolecularWeight: 373.42462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC1=C(C=C(C=C1)NN)S(=O)(=O)CCO)C(=O)O

Isomeric SMILES

CC(C(=O)NCCCC1=C(C=C(C=C1)NN)S(=O)(=O)CCO)C(=O)O

InChI

InChI=1S/C15H23N3O6S/c1-10(15(21)22)14(20)17-6-2-3-11-4-5-12(18-16)9-13(11)25(23,24)8-7-19/h4-5,9-10,18-19H,2-3,6-8,16H2,1H3,(H,17,20)(H,21,22)