MetaADEDB 2.0 @ LMMD
Edotreotide
(RZHKDBRREKOZEW-AAXZNHDCSA-N)
Structure
SMILES
NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@@H]([C@H](O)C)CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2
Molecular Formula:
C65H92N14O18S2
Molecular Weight:
1421.640
Log P:
-0.1983
Hydrogen Bond Acceptor:
33
Hydrogen Bond Donor:
17
TPSA:
530.99
CAS Number(s):
204318-14-9
Synonym(s)
1.
Edotreotide
2.
(DOTA(0)-Phe(1)-Tyr(3))octreotide
3.
DOTATOC
4.
SMT 487
5.
SMT-487
External Link(s)
MeSHC106246
PubChem Compound158782
BindingDB50165171
CHEMBLCHEMBL408350
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Edema10353735CTD
2Glioma10353735CTD
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