0ZI/PRD_000376

dansylarginine-N-(3-ethyl-1,5-pentanediyl)amide

Created:2008-08-05
Last modified:  2021-03-01

0ZI/PRD_000376 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1FPC.

Chemical Details

Formal Charge1
Atom Count74
Chiral Atom Count1
Bond Count76
Aromatic Bond Count11
2D diagram of 0ZI
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Chemical Component Summary

Namedansylarginine-N-(3-ethyl-1,5-pentanediyl)amide
SynonymsDAPA
Systematic Name (OpenEye OEToolkits)[amino-[[(4S)-4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]-5-(4-ethylpiperidin-1-yl)-5-oxo-pentyl]amino]methylidene]azanium
FormulaC25 H39 N6 O3 S
Molecular Weight503.681
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N1CCC(CC)CC1)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])\N
SMILESCACTVS3.341CC[CH]1CCN(CC1)C(=O)[CH](CCCNC(N)=[NH2+])N[S](=O)(=O)c2cccc3c(cccc23)N(C)C
Canonical SMILESCACTVS3.341 CC[C@@H]1CCN(CC1)C(=O)[C@H](CCCNC(N)=[NH2+])N[S](=O)(=O)c2cccc3c(cccc23)N(C)C
InChIInChI1.03 InChI=1S/C25H38N6O3S/c1-4-18-13-16-31(17-14-18)24(32)21(10-7-15-28-25(26)27)29-35(33,34)23-12-6-8-19-20(23)9-5-11-22(19)30(2)3/h5-6,8-9,11-12,18,21,29H,4,7,10,13-17H2,1-3H3,(H4,26,27,28)/p+1/t21-/m0/s1
InChIKeyInChI1.03 IIYZWOIELWZHJV-NRFANRHFSA-O

Related Resource References

Resource NameReference
PubChem 137347919