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CHEBI:135901 - lanreotide

ChEBI IDCHEBI:135901
ChEBI Namelanreotide
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC54H69N11O10S2
Net Charge0
Average Mass1096.347
Monoisotopic Mass1095.46703
SMILES[H][C@](N)(Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38+,40+,41+,42-,43+,44+,45+,46+/m1/s1
InChIKeyPUDHBTGHUJUUFI-PURAGXGVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
lanreotide (CHEBI:135901) is a oligopeptide (CHEBI:25676)
Synonyms  Source
ipstylDrugCentral
somatulin-autogelDrugCentral
angiopeptinDrugCentral
lanreotide autogelDrugCentral
somatulineDrugCentral
lanreotide acetateDrugCentral
Manual XrefsDatabases
1546DrugCentral
Registry NumbersSources
CAS:108736-35-2DrugCentral