Chemical Components in the PDB

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0Z9 : Summary

Code

0Z9

One-letter code

X

Molecule name

N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide
OpenEye OEToolkits 1.5.0 phenylmethyl N-[(2S)-1-[[(2S)-1-(hydroxyamino)-1-oxo-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate

Formula

C17 H25 N3 O5

Formal charge

0

Molecular weight

351.398 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C
SMILES CACTVS 3.341 CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NO
SMILES OpenEye OEToolkits 1.5.0 CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)OCc1ccccc1
Canonical SMILES CACTVS 3.341 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NO
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1

IUPAC InChI

InChI=1S/C17H25N3O5/c1-11(2)9-14(16(22)18-12(3)15(21)20-24)19-17(23)25-10-13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1

IUPAC InChI key

GFVPLCZPHFWQIY-JSGCOSHPSA-N

Has sub-components

PHQ , LEU , HMA
0Z9

wwPDB Information

Atom count

50 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-08-05

Last modified at

2011-07-13

Status

Released

Obsoleted

Not Assigned