(2S)-2-[[4-[2-(2,4-diamino-3,5,7-triazabicyclo[4.4.0]deca-1,3,5-trien-9-yl)ethyl]benzoyl]amino]pentanedioic acid
Molecular Formula:
C21H26N6O5
InChI: InChI=1/C21H26N6O5/c22-17-14-9-12(10-24-18(14)27-21(23)26-17)2-1-11-3-5-13(6-4-11)19(30)25-15(20(31)32)7-8-16(28)29/h3-6,12,15H,1-2,7-10H2,(H,25,30)(H,28,29)(H,31,32)(H5,22,23,24,26,27)/t12u,15-/m0/s1/f/h24-25,28,31H,22-23H2
InChIKey: InChIKey=JVKOZIXIYHORFY-CCTMWLLQDM
SMILES: C1C(CNC2=C1C(=NC(=N2)N)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Names:
(2S)-2-[[4-[2-(2,4-diamino-3,5,7-triazabicyclo[4.4.0]deca-1,3,5-trien-9-yl)ethyl]benzoyl]amino]pentanedioic acid
Registries:
PubChem CID 125705
PubChem ID 10241409
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