2-[carboxymethyl-[1-[2-(2-oxidanylbutylamino)ethylamino]-1-oxidanylidene-4-sulfo-butan-2-yl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[1-[2-(2-oxidanylbutylamino)ethylamino]-1-oxidanylidene-4-sulfo-butan-2-yl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[1-[2-(2-hydroxybutylamino)ethylcarbamoyl]-3-sulfo-propyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[1-[2-(2-hydroxybutylamino)ethylamino]-1-oxo-4-sulfobutan-2-yl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[1-[2-(2-hydroxybutylamino)ethylamino]-1-oxo-4-sulfobutan-2-yl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[1-[2-(2-hydroxybutylamino)ethylcarbamoyl]-3-sulfo-propyl]amino]acetic acid Formula: C14H27N3O9S MolecularWeight: 413.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCNC(=O)C(CCS(=O)(=O)O)N(CC(=O)O)CC(=O)O)O

Isomeric SMILES

CCC(CNCCNC(=O)C(CCS(=O)(=O)O)N(CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C14H27N3O9S/c1-2-10(18)7-15-4-5-16-14(23)11(3-6-27(24,25)26)17(8-12(19)20)9-13(21)22/h10-11,15,18H,2-9H2,1H3,(H,16,23)(H,19,20)(H,21,22)(H,24,25,26)