Chemical Components in the PDB

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3PM : Summary

Code

3PM

One-letter code

X

Molecule name

O-tert-butyl-D-serine

Systematic names

ProgramVersionName
ACDLabs 12.01 O-tert-butyl-D-serine
OpenEye OEToolkits 1.7.0 (2R)-2-azanyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid

Formula

C7 H15 N O3

Formal charge

0

Molecular weight

161.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)COC(C)(C)C
SMILES CACTVS 3.370 CC(C)(C)OC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C)(C)OCC(C(=O)O)N
Canonical SMILES CACTVS 3.370 CC(C)(C)OC[C@@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)(C)OC[C@H](C(=O)O)N

IUPAC InChI

InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1

IUPAC InChI key

DDCPKNYKNWXULB-RXMQYKEDSA-N

Is part of

TFN
3PM

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-18

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned