CHEBI:8985 - SDZ PSC 833

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ChEBI Name SDZ PSC 833
ChEBI ID CHEBI:8985
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C63H111N11O12
Net Charge 0
Average Mass 1214.624
Monoisotopic Mass 1213.84137
InChI InChI=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
InChIKey YJDYDFNKCBANTM-QCWCSKBGSA-N
SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(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)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
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 SDZ PSC 833 (CHEBI:8985) is a homodetic cyclic peptide (CHEBI:24613)
Synonyms Sources
3'-Keto-bmt(1)-val(2)-cyclosporin A KEGG COMPOUND
SDZ PSC 833 KEGG COMPOUND
Valspodar KEGG COMPOUND
Manual Xrefs Databases
C11213 KEGG COMPOUND
D06277 KEGG DRUG
View more database links
Registry Number Type Source
121584-18-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014