Chemical Compound

SCHEMBL12801446

SCHEMBL12801446 chemical structure
Primary Record

SCHEMBL12801446

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
135802785
SMILES
C1CN(CCN(CCN(CCN1CC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N)CC(=O)O)CC(=O)O)CC(=O)O
Canonical SMILES
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)C(=O)O)cc3)nc2c(=O)[nH]1

Names & Synonyms

  • SCHEMBL12801446
  • P1254
  • Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid-3-{2-[2-(3-amino-propoxy)-ethoxy]-ethoxy}-propylamine-folate