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CHEBI:135905 - terlipressin

ChEBI IDCHEBI:135905
ChEBI Nameterlipressin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC52H74N16O15S2
Net Charge0
Average Mass1227.395
Monoisotopic Mass1226.49610
SMILES[H]NCC(=O)NCC(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)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/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKeyBENFXAYNYRLAIU-QSVFAHTRSA-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)
terlipressin (CHEBI:135905) is a polypeptide (CHEBI:15841)
Synonyms  Source
glycylpressinDrugCentral
glypressinDrugCentral
remestypDrugCentral
Triglycyl-8-lysine-vasopressinDrugCentral
Manual XrefsDatabases
2967DrugCentral
HMDB0015569HMDB
Registry NumbersSources
CAS:14636-12-5DrugCentral