C66

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Summary

Name:2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-CYTOSINE
Formula:C14 H24 N6 O4
Formal charge:0
Molecular weight:340.378 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-(2-aminoethyl)-N~2~-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-D-lysine
OpenEye OEToolkits1.5.0(2R)-6-amino-2-[2-aminoethyl-[2-(4-amino-2-oxo-pyrimidin-1-yl)ethanoyl]amino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(C=CN1CC(=O)N(C(C(=O)O)CCCCN)CCN)N
SMILES_CANONICALCACTVS3.341NCCCC[C@@H](N(CCN)C(=O)CN1C=CC(=NC1=O)N)C(O)=O
SMILESCACTVS3.341NCCCC[CH](N(CCN)C(=O)CN1C=CC(=NC1=O)N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)CC(=O)N(CCN)C(CCCCN)C(=O)O
InChIInChI1.03InChI=1S/C14H24N6O4/c15-5-2-1-3-10(13(22)23)20(8-6-16)12(21)9-19-7-4-11(17)18-14(19)24/h4,7,10H,1-3,5-6,8-9,15-16H2,(H,22,23)(H2,17,18,24)/t10-/m1/s1
InChIKeyInChI1.03VSVRCXCSVDYVFE-SNVBAGLBSA-N