1OV

[(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid

Created: 2013-04-15
Last modified:  2013-06-12

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count27
Aromatic Bond Count0
2D diagram of 1OV

Chemical Component Summary

Name[(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)[(1R)-1-azanyl-4-carbamimidamido-butyl]phosphonic acid
FormulaC5 H15 N4 O3 P
Molecular Weight210.171
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)C(N)CCCNC(=[N@H])N
SMILESCACTVS3.370N[CH](CCCNC(N)=N)[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6C(CC(N)P(=O)(O)O)CNC(=N)N
Canonical SMILESCACTVS3.370 N[C@@H](CCCNC(N)=N)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 [H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O
InChIInChI1.03 InChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1
InChIKeyInChI1.03 MMEPWCMDQUSOLC-SCSAIBSYSA-N

Related Resource References

Resource NameReference
PubChem 71563402