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trisodium (2S)-2-[(2-carboxylatophenyl)carbonylamino]pentanedioate

trisodium (2S)-2-[(2-carboxylatophenyl)carbonylamino]pentanedioate

Systemtic Name:trisodium (2S)-2-[(2-carboxylatophenyl)carbonylamino]pentanedioate
Openeye Name:trisodium (2S)-2-[(2-carboxylatobenzoyl)amino]pentanedioate
CAS Name:trisodium (2S)-2-[[(2-carboxylatophenyl)-oxomethyl]amino]pentanedioate
IUPAC Name:trisodium (2S)-2-[(2-carboxylatobenzoyl)amino]pentanedioate
Traditional Name:trisodium (2S)-2-[(2-carboxylatobenzoyl)amino]glutarate
Formula: C13H10NNa3O7
MolecularWeight: 361.19031
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]


InChI

InChI=1S/C13H13NO7.3Na/c15-10(16)6-5-9(13(20)21)14-11(17)7-3-1-2-4-8(7)12(18)19;;;/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H,20,21);;;/q;3*+1/p-3/t9-;;;/m0.../s1


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