CHEBI:135907 - buserelin

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ChEBI Name buserelin ChEBI ID CHEBI:135907 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C60H86N16O13 Net Charge 0 Average Mass 1239.427 Monoisotopic Mass 1238.65603 InChI InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1 InChIKey CUWODFFVMXJOKD-UVLQAERKSA-N SMILES C([C@H](NC([C@H](CC1=CNC=N1)NC(=O)[C@@H]2CCC(N2)=O)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(C=C3)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)C=5C6=C(NC5)C=CC=C6 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 buserelin (CHEBI:135907) is a oligopeptide (CHEBI:25676) Synonyms Sources etilamide DrugCentral receptal DrugCentral Manual Xref Database 436 DrugCentral View more database links Registry Number Type Source 57982-77-1 CAS Registry Number DrugCentral Last Modified 23 February 2017