loading...| Preferred Name | lanreotide | |
| Synonyms |
lanreotide acetate lanreotide autogel somatulin-autogel somatuline angiopeptin ipstyl |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135901 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:108736-35-2 Drug_Central:1546 |
|
| formula |
C54H69N11O10S2 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
lanreotide acetate lanreotide autogel somatulin-autogel somatuline angiopeptin ipstyl |
|
| id |
CHEBI:135901 |
|
| in_subset | ||
| inchi |
InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38+,40+,41+,42-,43+,44+,45+,46+/m1/s1 |
|
| inchikey |
PUDHBTGHUJUUFI-PURAGXGVSA-N |
|
| label |
lanreotide |
|
| mass |
1096.328 |
|
| monoisotopicmass |
1095.46703 |
|
| notation |
CHEBI:135901 |
|
| prefLabel |
lanreotide |
|
| smiles |
C(N[C@H]1CSSC[C@H](NC([C@H](C(C)C)NC([C@H](CCCCN)NC([C@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CNC4=C3C=CC=C4)=O)=O)=O)C(N[C@@H]([C@@H](C)O)C(N)=O)=O)(=O)[C@](N)([H])CC=5C=C6C=CC=CC6=CC5 |
|
| treeView | ||
| subClassOf |