Mer-N5075-A (CHEBI:216662)

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CHEBI:216662 - Mer-N5075-A

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ChEBI ID	CHEBI:216662
ChEBI Name	Mer-N5075-A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H43N7O6
Net Charge	0
Average Mass	597.717
Monoisotopic Mass	597.32748
SMILES	CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(CO)Cc1ccccc1
InChI	InChI=1S/C30H43N7O6/c1-19(2)25(27(40)34-22(18-38)16-20-10-5-3-6-11-20)37-26(39)23(14-9-15-33-29(31)32)35-30(43)36-24(28(41)42)17-21-12-7-4-8-13-21/h3-8,10-13,19,22-25,38H,9,14-18H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,31,32,33)(H2,35,36,43)
InChIKey	FWFRRBPYKRBFLL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces chromofuscus (ncbitaxon:42881)	-	PubMed (8244894)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Mer-N5075-A (CHEBI:216662) is a dipeptide (CHEBI:46761)

IUPAC Name
2-[[5-(diaminomethylideneamino)-1-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid

Manual Xrefs	Databases
8636580	ChemSpider