2-[3-[4-diazanyl-2-(2-hydroxyethylsulfonyl)phenyl]propylcarbamoyl]butanoic acid

Systemtic Name: 2-[3-[4-diazanyl-2-(2-hydroxyethylsulfonyl)phenyl]propylcarbamoyl]butanoic acid Openeye Name: 2-[3-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]propylcarbamoyl]butanoic acid CAS Name: 2-[[3-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]propylamino]-oxomethyl]butanoic acid IUPAC Name: 2-[3-[4-hydrazinyl-2-(2-hydroxyethylsulfonyl)phenyl]propylcarbamoyl]butanoic acid Traditional Name: 2-[3-[4-hydrazino-2-(2-hydroxyethylsulfonyl)phenyl]propylcarbamoyl]butyric acid Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O6S/c1-2-13(16(22)23)15(21)18-7-3-4-11-5-6-12(19-17)10-14(11)26(24,25)9-8-20/h5-6,10,13,19-20H,2-4,7-9,17H2,1H3,(H,18,21)(H,22,23)