Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DP2 : Summary

Code

DP2

One-letter code

X

Molecule name

L-LYSYL-N~5~-[(Z)-(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-L-ORNITHINAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-lysyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide
OpenEye OEToolkits 1.5.0 (2R)-2,6-diamino-N-[(2R)-1-amino-5-[[N-(dihydroxyamino)carbamimidoyl]amino]-1-oxo-pentan-2-yl]hexanamide

Formula

C12 H28 N8 O4

Formal charge

0

Molecular weight

348.402 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)C(NC(=O)C(N)CCCCN)CCCNC(=[N@H])NN(O)O
SMILES CACTVS 3.341 NCCCC[CH](N)C(=O)N[CH](CCCNC(=N)NN(O)O)C(N)=O
SMILES OpenEye OEToolkits 1.5.0 C(CCN)CC(C(=O)NC(CCCNC(=N)NN(O)O)C(=O)N)N
Canonical SMILES CACTVS 3.341 NCCCC[C@@H](N)C(=O)N[C@H](CCCNC(=N)NN(O)O)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N

IUPAC InChI

InChI=1S/C12H28N8O4/c13-6-2-1-4-8(14)11(22)18-9(10(15)21)5-3-7-17-12(16)19-20(23)24/h8-9,23-24H,1-7,13-14H2,(H2,15,21)(H,18,22)(H3,16,17,19)/t8-,9-/m1/s1

IUPAC InChI key

VKBOUZQMRKGFCB-RKDXNWHRSA-N
DP2

wwPDB Information

Atom count

52 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-18

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned