2-[[4-[(2,4-diamino-3,5,7-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-9-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
Molecular Formula:
C21H23N7O5
InChI: InChI=1/C21H23N7O5/c1-28(10-11-8-14-17(22)26-21(23)27-18(14)24-9-11)13-4-2-12(3-5-13)19(31)25-15(20(32)33)6-7-16(29)30/h2-5,8-9,15H,6-7,10H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,22,23,24,26,27)/f/h25,29,32H,22-23H2
InChIKey: InChIKey=DSXZZNYIRMPBTN-GTLWIPIYCM
SMILES: CN(CC1=CN=C2C(=C1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Names:
2-[[4-[(2,4-diamino-3,5,7-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-9-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
Registries:
PubChem CID 335384
PubChem ID 4842911
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