Chemical Components in the PDB

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P0H : Summary

Code

P0H

One-letter code

X

Molecule name

N-[(benzyloxy)carbonyl]glycyl-L-proline

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(benzyloxy)carbonyl]glycyl-L-proline
OpenEye OEToolkits 1.7.0 (2S)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidine-2-carboxylic acid

Formula

C15 H18 N2 O5

Formal charge

0

Molecular weight

306.314 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2
SMILES CACTVS 3.370 OC(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O

IUPAC InChI

InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1

IUPAC InChI key

ZTUKZKYDJMGJDC-LBPRGKRZSA-N

Has sub-components

PHQ
P0H

wwPDB Information

Atom count

40 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-12

Last modified at

2011-07-13

Status

Released

Obsoleted

Not Assigned