2-[[4-[(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-9-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
Molecular Formula:
C20H20N6O5S
InChI: InChI=1/C20H20N6O5S/c21-17-16-13(25-20(22)26-17)6-3-11(23-16)9-32-12-4-1-10(2-5-12)18(29)24-14(19(30)31)7-8-15(27)28/h1-6,14H,7-9H2,(H,24,29)(H,27,28)(H,30,31)(H4,21,22,25,26)/f/h24,27,30H,21-22H2
InChIKey: InChIKey=LKSYAPXCVZORHU-LEFGCNLCCI
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SCC2=NC3=C(C=C2)N=C(N=C3N)N
Names:
2-[[4-[(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-9-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
Registries:
PubChem CID 335374
PubChem ID 4822250
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