Chemical Components in the PDB

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4ZN : Summary

Code

4ZN

One-letter code

X

Molecule name

(2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
OpenEye OEToolkits 1.9.2 (2S)-2-[[[(R)-azanyl(phenyl)methyl]-oxidanyl-phosphoryl]methyl]-4-methyl-pentanoic acid

Formula

C14 H22 N O4 P

Formal charge

0

Molecular weight

299.303 Da

SMILES

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

IUPAC InChI

InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1

IUPAC InChI key

RUYPIGFYJMPICK-CHWSQXEVSA-N
4ZN

wwPDB Information

Atom count

42 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-07-02

Last modified at

2020-06-01

Status

Released

Obsoleted

Not Assigned