Chemical Components in the PDB

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N7P : Summary

Code

N7P

One-letter code

P

Molecule name

1-ACETYL-L-PROLINE

Synonyms

N-ACETYLPROLINE

Systematic names

ProgramVersionName
ACDLabs 12.01 1-acetyl-L-proline
OpenEye OEToolkits 2.0.5 (2~{S})-1-ethanoylpyrrolidine-2-carboxylic acid

Formula

C7 H11 N O3

Formal charge

0

Molecular weight

157.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC(=O)C1N(C(=O)C)CCC1
SMILES CACTVS 3.385 CC(=O)N1CCC[CH]1C(O)=O
SMILES OpenEye OEToolkits 2.0.5 CC(=O)N1CCCC1C(=O)O
Canonical SMILES CACTVS 3.385 CC(=O)N1CCC[C@H]1C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 CC(=O)N1CCC[C@H]1C(=O)O

IUPAC InChI

InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1

IUPAC InChI key

GNMSLDIYJOSUSW-LURJTMIESA-N
N7P

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2003-02-21

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned