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ceruletide diethylamine

CHEBI:CHEBI_59223

Definition

The diethylamine salt of ceruletide.

Chemical Information

Molecular Formula
C62H84N14O21S2
Molecular Mass
1425.54200
Charge
0
SMILES
CCNCC.[H][C@](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI
InChI=1S/C58H73N13O21S2.C4H11N/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30;1-3-5-4-2/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91);5H,3-4H2,1-2H3/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+;/m1./s1
InChIKey
FHDKSYKZXIFRKJ-CBCFNHQSSA-N

Alternative Names

  • 5-oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide--N-ethylethanamine (1/1)
  • caerulein diethylamine

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
20024
oboInOwl#hasDbXref
KEGG:D03443
core#notation
CHEBI:59223

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
20024
oboInOwl#hasDbXref
KEGG:D03443
oboInOwl#id
CHEBI:59223
core#notation
CHEBI:59223
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_55324
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_59219
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
owl#annotatedSource
t252571
owl#someValuesFrom
t2988484