Phepropeptin B (CHEBI:214806)

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CHEBI:214806 - Phepropeptin B

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ChEBI ID	CHEBI:214806
ChEBI Name	Phepropeptin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H56N6O6
Net Charge	0
Average Mass	716.924
Monoisotopic Mass	716.42613
SMILES	CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
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

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (11827028)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
9040729	ChemSpider