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D9P

Summary
Name:1-desthiobiotinylpyrene
Formula:C26 H26 N2 O2
Formal charge:0
Formula weight:398.497 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4S,5R)-4-methyl-5-[6-oxo-6-(pyren-1-yl)hexyl]imidazolidin-2-one
OpenEye OEToolkits2.0.4(4~{S},5~{R})-4-methyl-5-(6-oxidanylidene-6-pyren-1-yl-hexyl)imidazolidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccc4c2c1ccc3c2c(ccc3)cc4)CCCCCC5NC(NC5C)=O
InChIInChI1.03InChI=1S/C26H26N2O2/c1-16-22(28-26(30)27-16)8-3-2-4-9-23(29)20-14-12-19-11-10-17-6-5-7-18-13-15-21(20)25(19)24(17)18/h5-7,10-16,22H,2-4,8-9H2,1H3,(H2,27,28,30)/t16-,22+/m0/s1
InChIKeyInChI1.03GEJQOLRONNVYHQ-KSFYIVLOSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)c2ccc3ccc4cccc5ccc2c3c45
SMILESCACTVS3.385C[CH]1NC(=O)N[CH]1CCCCCC(=O)c2ccc3ccc4cccc5ccc2c3c45
SMILES_CANONICALOpenEye OEToolkits2.0.4C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5
SMILESOpenEye OEToolkits2.0.4CC1C(NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5

218853

PDB entries from 2024-04-24

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