MetaADEDB 2.0 @ LMMD
cyanopeptolin 1020
(NYXUAFLMUQAJPS-AYGLBTBXSA-N)
Structure
SMILES
CCCCCC(=O)N[C@H](C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@@H](N2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCN=C(N)N)CC[C@H]2O)Cc1ccccc1)C(C)C)CCC(=O)O
Molecular Formula:
C50H72N10O13
Molecular Weight:
1021.170
Log P:
2.8824
Hydrogen Bond Acceptor:
23
Hydrogen Bond Donor:
10
TPSA:
354.58
CAS Number(s):
N/A
Synonym(s)
1.
cyanopeptolin 1020
2.
hexanoic acid-Glu-N(-O-Thr-Arg-Ahp-Phe-N-Me-Tyr-Val-)
External Link(s)
MeSHC550047
PubChem Compound46830813
CHEMBLCHEMBL1172449
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Neurotoxicity Syndromes29782159CTD
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