Rhabdopeptide 7 (CHEBI:219378)

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CHEBI:219378 - Rhabdopeptide 7

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ChEBI ID	CHEBI:219378
ChEBI Name	Rhabdopeptide 7
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H52N6O4
Net Charge	0
Average Mass	584.806
Monoisotopic Mass	584.40500
SMILES	CN[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N(C)[C@@H](C(=O)NCCc1cnc2ccccc12)C(C)C)C(C)C)C(C)C)C(C)C
InChI	InChI=1S/C32H52N6O4/c1-18(2)25(33-9)29(39)36-26(19(3)4)30(40)37-27(20(5)6)32(42)38(10)28(21(7)8)31(41)34-16-15-22-17-35-24-14-12-11-13-23(22)24/h11-14,17-21,25-28,33,35H,15-16H2,1-10H3,(H,34,41)(H,36,39)(H,37,40)/t25-,26+,27+,28+/m0/s1
InChIKey	OXEAFOWWKLMFDM-KUXCXQDQSA-N

Species of Metabolite	Component	Source	Comments
Xenorhabdus cabanillasii (ncbitaxon:351673)	-	PubMed (24038745)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Rhabdopeptide 7 (CHEBI:219378) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Manual Xrefs	Databases
78442831	ChemSpider