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TPN

Summary
Name:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE
Formula:C11 H17 N4 O5
Formal charge:1
Formula weight:285.276 Da
Component type:PEPTIDE-LIKE

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{(carboxymethyl)[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]amino}ethanaminium
OpenEye OEToolkits1.7.02-[carboxymethyl-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)ethanoyl]amino]ethylazanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N(CC(=O)O)CC[NH3+])CN1C=C(C(=O)NC1=O)C
SMILES_CANONICALCACTVS3.370CC1=CN(CC(=O)N(CC[NH3+])CC(O)=O)C(=O)NC1=O
SMILESCACTVS3.370CC1=CN(CC(=O)N(CC[NH3+])CC(O)=O)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O
SMILESOpenEye OEToolkits1.7.0CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O
InChIInChI1.03InChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1
InChIKeyInChI1.03NSCRQJLBPSKCNK-UHFFFAOYSA-O

224931

PDB entries from 2024-09-11

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