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CHEBI:136020 - ornipressin

ChEBI IDCHEBI:136020
ChEBI Nameornipressin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC45H63N13O12S2
Net Charge0
Average Mass1042.212
Monoisotopic Mass1041.41606
SMILES[H]N[C@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKeyMUNMIGOEDGHVLE-LGYYRGKSSA-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)
ornipressin (CHEBI:136020) is a oligopeptide (CHEBI:25676)
Synonyms  Source
orpressinDrugCentral
ornithine-vasopressinDrugCentral
Manual XrefsDatabases
4679DrugCentral
Registry NumbersSources
CAS:3397-23-7DrugCentral