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CHEBI:759095 - pasireotide diaspartate

Default Structure
ChEBI IDCHEBI:759095
ChEBI Namepasireotide diaspartate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC58H66N10O9.C4H7NO4.C4H7NO4
Net Charge0
Average Mass1313.433
Monoisotopic Mass1312.57644
SMILESN[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.[H][C@@]12C[C@@H](OC(=O)NCCN)CN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc3ccccc3)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1cnc3ccccc13)NC(=O)[C@H](c1ccccc1)NC2=O
InChIInChI=1S/C58H66N10O9.2C4H7NO4/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;2*5-2(4(8)9)1-3(6)7/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);2*2H,1,5H2,(H,6,7)(H,8,9)/t43-,46+,47+,48-,49+,50+,51+;2*2-/m100/s1
InChIKeyNEEFMPSSNFRRNC-HQUONIRXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
hyperglycemic agent  A drug which increases the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
pasireotide diaspartate (CHEBI:759095) has role hyperglycemic agent (CHEBI:76916)
pasireotide diaspartate (CHEBI:759095) is a oligopeptide (CHEBI:25676)
Synonym  Source
Pasireotide (as diaspartate)ChEMBL