CHEBI:135905 - terlipressin

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ChEBI Name terlipressin
ChEBI ID CHEBI:135905
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C52H74N16O15S2
Net Charge 0
Average Mass 1227.376
Monoisotopic Mass 1226.49610
InChI InChI=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
InChIKey BENFXAYNYRLAIU-QSVFAHTRSA-N
SMILES [H]NCC(NCC(NCC(N[C@H]1CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)C(N4CCC[C@H]4C(N[C@@H](CCCCN)C(NCC(N)=O)=O)=O)=O)=O)=O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing terlipressin (CHEBI:135905) is a polypeptide (CHEBI:15841)
Synonyms Sources
glycylpressin DrugCentral
glypressin DrugCentral
remestyp DrugCentral
Triglycyl-8-lysine-vasopressin DrugCentral
Manual Xref Database
2967 DrugCentral
View more database links
Registry Number Type Source
14636-12-5 CAS Registry Number DrugCentral
Last Modified
23 February 2017