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CSI

Summary
Name:AMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN-4-YL)-ACETIC ACID
Formula:C7 H12 N4 O4
Formal charge:0
Formula weight:216.195 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-(carboxyamino)[(2Z,4R)-2-iminohexahydropyrimidin-4-yl]acetic acid
OpenEye OEToolkits1.7.6(2S)-2-[(4R)-2-azanylidene-1,3-diazinan-4-yl]-2-(carboxyamino)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1\C(=N)NC(CC1)C(NC(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C7H12N4O4/c8-6-9-2-1-3(10-6)4(5(12)13)11-7(14)15/h3-4,11H,1-2H2,(H,12,13)(H,14,15)(H3,8,9,10)/t3-,4+/m1/s1
InChIKeyInChI1.03SMMZNNCDNODIPP-DMTCNVIQSA-N
SMILES_CANONICALCACTVS3.385OC(=O)N[C@@H]([C@H]1CCNC(=N)N1)C(O)=O
SMILESCACTVS3.385OC(=O)N[CH]([CH]1CCNC(=N)N1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O
SMILESOpenEye OEToolkits1.7.6C1CNC(=N)NC1C(C(=O)O)NC(=O)O

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數據於2024-11-06公開中

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