CHEBI:156525 - alamethicin F50

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name alamethicin F50
ChEBI ID CHEBI:156525
Stars This entity has been manually annotated by a third party.
Submitter Micheal Alexander
Supplier Information
Download Molfile XML SDF
Formula C92H151N23O24
Net Charge 0
Average Mass 1963.357
Monoisotopic Mass 1962.13023
InChI InChI=1S/C92H151N23O24/c1-47(2)43-58(72(127)109-92(24,25)84(139)114-41-29-33-59(114)73(128)104-65(48(3)4)75(130)112-90(20,21)82(137)113-89(18,19)80(135)103-56(36-39-62(94)119)70(125)102-55(35-38-61(93)118)69(124)99-54(46-116)44-53-31-27-26-28-32-53)100-64(121)45-96-77(132)85(10,11)111-76(131)66(49(5)6)105-81(136)88(16,17)108-71(126)57(37-40-63(95)120)101-67(122)50(7)97-78(133)86(12,13)107-68(123)51(8)98-79(134)87(14,15)110-74(129)60-34-30-42-115(60)83(138)91(22,23)106-52(9)117/h26-28,31-32,47-51,54-60,65-66,116H,29-30,33-46H2,1-25H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,132)(H,97,133)(H,98,134)(H,99,124)(H,100,121)(H,101,122)(H,102,125)(H,103,135)(H,104,128)(H,105,136)(H,106,117)(H,107,123)(H,108,126)(H,109,127)(H,110,129)(H,111,131)(H,112,130)(H,113,137)/t50-,51-,54-,55+,56+,57-,58-,59-,60-,65-,66-/m0/s1
InChIKey YPZSDWIWYLTCKG-NQYXTXNHSA-N
SMILES CC(C[C@H](NC(CNC(C(C)(NC([C@@H](NC(C(C)(NC([C@@H](NC([C@@H](NC(C(C)(NC([C@@H](NC(C(C)(NC([C@H]1N(C(C(C)(C)NC(C)=O)=O)CCC1)=O)C)=O)C)=O)C)=O)C)=O)CCC(N)=O)=O)C)=O)C(C)C)=O)C)=O)=O)C(NC(C)(C(N2[C@H](C(N[C@@H](C(C)C)C(NC(C)(C)C(NC(C)(C)C(N[C@H](CCC(N)=O)C(N[C@H](CCC(N)=O)C(N[C@H](CO)CC3=CC=CC=C3)=O)=O)=O)=O)=O)=O)CCC2)=O)C)=O)C
ChEBI Ontology
Outgoing alamethicin F50 (CHEBI:156525) is a organic molecular entity (CHEBI:50860)
Synonym Source
18-L-glutamine-alamethicin I SUBMITTER
Registry Number Type Source
56165-93-6 CAS Registry Number SUBMITTER
Citation Waiting for Citations Type Source
24360837 PubMed citation SUBMITTER