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DP2

Summary
Name:L-LYSYL-N~5~-[(Z)-(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-L-ORNITHINAMIDE
Synonyms:D-LYSINE-D-NITROARGININE AMIDE
Formula:C12 H28 N8 O4
Formal charge:0
Formula weight:348.402 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04D-lysyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide
OpenEye OEToolkits1.5.0(2R)-2,6-diamino-N-[(2R)-1-amino-5-[[N-(dihydroxyamino)carbamimidoyl]amino]-1-oxo-pentan-2-yl]hexanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)C(NC(=O)C(N)CCCCN)CCCNC(=[N@H])NN(O)O
SMILES_CANONICALCACTVS3.341NCCCC[C@@H](N)C(=O)N[C@H](CCCNC(=N)NN(O)O)C(N)=O
SMILESCACTVS3.341NCCCC[CH](N)C(=O)N[CH](CCCNC(=N)NN(O)O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N
SMILESOpenEye OEToolkits1.5.0C(CCN)CC(C(=O)NC(CCCNC(=N)NN(O)O)C(=O)N)N
InChIInChI1.03InChI=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
InChIKeyInChI1.03VKBOUZQMRKGFCB-RKDXNWHRSA-N

217705

PDB entries from 2024-03-27

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