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CHEBI:135957 - voclosporin

Default Structure
ChEBI IDCHEBI:135957
ChEBI Namevoclosporin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC63H111N11O12
Net Charge0
Average Mass1214.646
Monoisotopic Mass1213.84137
SMILES[H][C@@]1(C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C/C=C/C=C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C1=O
InChIInChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1
InChIKeyBICRTLVBTLFLRD-PTWUADNWSA-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)
voclosporin (CHEBI:135957) is a homodetic cyclic peptide (CHEBI:24613)
Synonyms  Source
ISA 247DrugCentral
ISA-247DrugCentral
ISA247DrugCentral
ISATX247DrugCentral
Manual XrefsDatabases
4366DrugCentral
Registry NumbersSources
CAS:515814-01-4DrugCentral