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CHEBI:759898 - vapreotide acetate

Default Structure
ChEBI IDCHEBI:759898
ChEBI Namevapreotide acetate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC2H4O2.C57H70N12O9S2
Net Charge0
Average Mass1191.448
Monoisotopic Mass1190.50414
SMILESCC(=O)O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2cnc3ccccc23)C(N)=O)NC1=O
InChIInChI=1S/C57H70N12O9S2.C2H4O2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58;1-2(3)4/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73);1H3,(H,3,4)/t40-,43+,44+,45+,46-,47+,48+,49+;/m1./s1
InChIKeyKBIZSMHYSQUHDH-NCACADTJSA-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)
vapreotide acetate (CHEBI:759898) is a polypeptide (CHEBI:15841)
Synonyms  Source
BMY-41606 ACETATEChEMBL
DocrisedChEMBL
DP-05-094ChEMBL
Octastatin acetateChEMBL
RC-160 ACETATEChEMBL
Vapreotide acetateChEMBL
Brand Names  Source
Docrised (mexico)ChEMBL
OctastatinChEMBL
SanvarChEMBL