4-[2-[(3-azido-5-sulfo-phenyl)carbonylamino]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(3-azido-5-sulfo-phenyl)carbonylamino]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(3-azido-5-sulfo-benzoyl)amino]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[[(3-azido-5-sulfophenyl)-oxomethyl]amino]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(3-azido-5-sulfobenzoyl)amino]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[(3-azido-5-sulfo-benzoyl)amino]ethylamino]-4-keto-butyric acid Formula: C13H15N5O7S MolecularWeight: 385.3525

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N=[N+]=[N-])S(=O)(=O)O)C(=O)NCCNC(=O)CCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1N=[N+]=[N-])S(=O)(=O)O)C(=O)NCCNC(=O)CCC(=O)O

InChI

InChI=1S/C13H15N5O7S/c14-18-17-9-5-8(6-10(7-9)26(23,24)25)13(22)16-4-3-15-11(19)1-2-12(20)21/h5-7H,1-4H2,(H,15,19)(H,16,22)(H,20,21)(H,23,24,25)