loading...| Preferred Name |
abarelix |
|
| Synonyms |
abarelix N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N(6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide |
|
| Definitions |
A polypeptide compound composed of ten natural and non-natural amino acid resiudes in a linear sequence. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_337298 |
|
| alternative term |
abarelix N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N(6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide |
|
| bearer_of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:11462984 Wikipedia:Abarelix CAS:183552-38-7 KEGG:D02738 DrugBank:DB00106 Drug_Central:35 Beilstein:8895061 |
|
| formula |
C72H95ClN14O14 |
|
| has role | ||
| has_exact_synonym |
N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N(6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
abarelix |
|
| has_RxCUI |
301739 |
|
| id |
CHEBI:337298 |
|
| in_subset | ||
| inchi |
InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1 |
|
| inchikey |
AIWRTTMUVOZGPW-HSPKUQOVSA-N |
|
| label |
abarelix |
|
| mass |
1416.06300 |
|
| monoisotopicmass |
1414.68407 |
|
| notation |
CHEBI:337298 |
|
| prefixIRI |
CHEBI:337298 |
|
| prefLabel |
abarelix |
|
| smiles |
CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O |
|
| textual definition |
A polypeptide compound composed of ten natural and non-natural amino acid resiudes in a linear sequence. |
|
| subClassOf |