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CHEBI:8985 - SDZ PSC 833

ChEBI IDCHEBI:8985
ChEBI NameSDZ PSC 833
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC63H111N11O12
Net Charge0
Average Mass1214.646
Monoisotopic Mass1213.84137
SMILESC/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
InChIInChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
InChIKeyYJDYDFNKCBANTM-QCWCSKBGSA-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)
SDZ PSC 833 (CHEBI:8985) is a homodetic cyclic peptide (CHEBI:24613)
Synonyms  Source
SDZ PSC 833KEGG COMPOUND
ValspodarKEGG COMPOUND
3'-Keto-bmt(1)-val(2)-cyclosporin AKEGG COMPOUND
Manual XrefsDatabases
C11213KEGG COMPOUND
D06277KEGG DRUG
Registry NumbersSources
CAS:121584-18-7KEGG COMPOUND