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TP1

Summary
Name:2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE
Formula:C12 H18 N4 O5
Formal charge:0
Formula weight:298.295 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[2-(methylamino)ethyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
OpenEye OEToolkits1.5.02-[2-methylaminoethyl-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)ethanoyl]amino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(CC(=O)O)CCNC)CN1C=C(C(=O)NC1=O)C
SMILES_CANONICALCACTVS3.341CNCCN(CC(O)=O)C(=O)CN1C=C(C)C(=O)NC1=O
SMILESCACTVS3.341CNCCN(CC(O)=O)C(=O)CN1C=C(C)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O
InChIInChI1.03InChI=1S/C12H18N4O5/c1-8-5-16(12(21)14-11(8)20)6-9(17)15(4-3-13-2)7-10(18)19/h5,13H,3-4,6-7H2,1-2H3,(H,18,19)(H,14,20,21)
InChIKeyInChI1.03ZKSFEIQNOYBLHG-UHFFFAOYSA-N

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건을2024-08-07부터공개중

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