Chemical Compound

A12445

CAS Registry Number 379-79-3
A12445 chemical structure
Primary Record

A12445

In stock
9,295 g
Purity
98.7 %
CAS
379-79-3

Compound Identifiers & Properties

CAS
379-79-3
PubChem CID
138107100
SMILES
C[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Canonical SMILES
CN1C[C@@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)[C@@H](O)[C@H](O)C(=O)O

Names & Synonyms

  • A12445
  • 379-79-3