Chemical Components in the PDB

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2G5 : Summary

Code

2G5

One-letter code

X

Molecule name

N-[(S)-[(2S)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(S)-[(2S)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid
OpenEye OEToolkits 1.9.2 (2S)-2-[[[(2S)-2-benzamido-3-oxidanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]amino]pentanedioic acid

Formula

C15 H19 N2 O10 P

Formal charge

0

Molecular weight

418.293 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC(C(=O)O)COP(=O)(O)NC(C(=O)O)CCC(=O)O)c1ccccc1
SMILES CACTVS 3.385 OC(=O)CC[CH](N[P](O)(=O)OC[CH](NC(=O)c1ccccc1)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)C(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CC[C@H](N[P](O)(=O)OC[C@H](NC(=O)c1ccccc1)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O

IUPAC InChI

InChI=1S/C15H19N2O10P/c18-12(19)7-6-10(14(21)22)17-28(25,26)27-8-11(15(23)24)16-13(20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,20)(H,18,19)(H,21,22)(H,23,24)(H2,17,25,26)/t10-,11-/m0/s1

IUPAC InChI key

FMKMCQXFKJRGIQ-QWRGUYRKSA-N
2G5

wwPDB Information

Atom count

47 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-03-27

Last modified at

2015-05-15

Status

Released

Obsoleted

Not Assigned