Chemical Compound

C40H48CaN14O12

CAS Registry Number 151533-22-1
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C40H48CaN14O12 chemical structure
Primary Record

C40H48CaN14O12

In stock
4,966 g
Purity
98.7 %
CAS
151533-22-1

Compound Identifiers & Properties

CAS
151533-22-1
PubChem CID
175687984
SMILES
CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.CN1[C@H](CNC2=C1C(=NC(=N2)N)[O-])CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O.[Ca+2]
Canonical SMILES
CN1c2c([O-])nc(N)nc2NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)O)cc1.CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.[Ca+2]

Names & Synonyms

  • C40H48CaN14O12
  • MFCD23843790
  • 151533-22-1
  • calcium;(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoate