BH7

E-AMINO BIOTINYL CAPROIC ACID

Created: 2002-04-15
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count3
Bond Count52
Aromatic Bond Count0
2D diagram of BH7
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Chemical Component Summary

NameE-AMINO BIOTINYL CAPROIC ACID
Synonyms6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
Systematic Name (OpenEye OEToolkits)6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[4,3-d]imidazol-4-yl]pentanoylamino]hexanoic acid
FormulaC16 H27 N3 O4 S
Molecular Weight357.468
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)O
SMILESCACTVS3.341OC(=O)CCCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
SMILESOpenEye OEToolkits1.5.0C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
Canonical SMILESCACTVS3.341 OC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
InChIInChI1.03 InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
InChIKeyInChI1.03 CMUGHZFPFWNUQT-HUBLWGQQSA-N

Drug Info: DrugBank

DrugBank IDDB03139 
Name6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid
Groups experimental
Synonyms6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid

Drug Targets

NameTarget SequencePharmacological ActionActions
StreptavidinMRKIVVAAIAVSLTTVSITASASADPSKDSKAQVSAAEAGITGTWYNQLG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 446905