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EDT : Summary
Code
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EDT
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One-letter code
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X
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Molecule name
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{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
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Systematic names
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Formula
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C10 H16 N2 O8
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Formal charge
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0
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Molecular weight
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292.243 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
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IUPAC InChI | InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
IUPAC InChI key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (20 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2003-01-16
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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