CHEBI:214806 - Phepropeptin B

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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 Phepropeptin B
ChEBI ID CHEBI:214806
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H56N6O6
Net Charge 0
Average Mass 716.924
Monoisotopic Mass 716.42613
InChI InChI=1S/C40H56N6O6/c1-24(2)20-29-35(47)44-32(23-28-16-11-8-12-17-28)40(52)46-19-13-18-33(46)38(50)42-31(22-27-14-9-7-10-15-27)36(48)41-30(21-25(3)4)37(49)45-34(26(5)6)39(51)43-29/h7-12,14-17,24-26,29-34H,13,18-23H2,1-6H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t29-,30+,31-,32+,33-,34-/m0/s1
InChIKey WPYOCTODIOSRQG-WOXDTIJASA-N
SMILES O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)C(C)C)CC(C)C)CC4=CC=CC=C4)CCC2
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
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 Phepropeptin B (CHEBI:214806) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3R,6S,9S,12R,15S,18S)-3,15-dibenzyl-6,12-bis(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Manual Xref Database
9040729 ChemSpider
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