2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-(diphosphonomethylcarbamoyl)butanoic acid
Molecular Formula:
C21H27N9O10P2
InChI: InChI=1/C21H27N9O10P2/c1-30(9-11-8-24-17-15(25-11)16(22)28-20(23)29-17)12-4-2-10(3-5-12)18(32)26-13(19(33)34)6-7-14(31)27-21(41(35,36)37)42(38,39)40/h2-5,8,13,21H,6-7,9H2,1H3,(H,26,32)(H,27,31)(H,33,34)(H2,35,36,37)(H2,38,39,40)(H4,22,23,24,28,29)/f/h26-27,33,35-36,38-39H,22-23H2
InChIKey: InChIKey=YRKBAUUUKVAKQA-FTNXIUBRCK
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O
Names:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-(diphosphonomethylcarbamoyl)butanoic acid
Registries:
PubChem CID 383714
PubChem ID 4840038
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