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

Systemtic Name: 2-[carboxymethyl-[1-oxidanylidene-1-[2-(2-oxidanylpropylamino)ethylamino]-4-sulfo-butan-2-yl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[1-[2-(2-hydroxypropylamino)ethylcarbamoyl]-3-sulfo-propyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[1-[2-(2-hydroxypropylamino)ethylamino]-1-oxo-4-sulfobutan-2-yl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[1-[2-(2-hydroxypropylamino)ethylamino]-1-oxo-4-sulfobutan-2-yl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[1-[2-(2-hydroxypropylamino)ethylcarbamoyl]-3-sulfo-propyl]amino]acetic acid Formula: C13H25N3O9S MolecularWeight: 399.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O9S/c1-9(17)6-14-3-4-15-13(22)10(2-5-26(23,24)25)16(7-11(18)19)8-12(20)21/h9-10,14,17H,2-8H2,1H3,(H,15,22)(H,18,19)(H,20,21)(H,23,24,25)