Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

DP1

Summary
Name:L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE
Formula:C10 H22 N8 O4
Formal charge:0
Formula weight:318.333 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1S)-3-amino-1-carbamoylpropyl]-N~5~-(N-nitrocarbamimidoyl)-L-ornithinamide
OpenEye OEToolkits1.5.0(2S)-2-amino-N-[(2S)-1,4-diamino-1-oxo-butan-2-yl]-5-[(N-nitrocarbamimidoyl)amino]pentanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)NC(C(=O)N)CCN)N
SMILES_CANONICALCACTVS3.341NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
SMILESCACTVS3.341NCC[CH](NC(=O)[CH](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]
SMILESOpenEye OEToolkits1.5.0C(CC(C(=O)NC(CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]
InChIInChI1.03InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
InChIKeyInChI1.03KUZKVXUOMSVPOA-BQBZGAKWSA-N

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon