Einecs 257-383-4 (CHEBI:181214)

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CHEBI:181214 - Einecs 257-383-4

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ChEBI ID	CHEBI:181214
ChEBI Name	Einecs 257-383-4
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H39N7O6
Net Charge	0
Average Mass	593.685
Monoisotopic Mass	593.29618
SMILES	CC(C)C(NC(=O)C(NC(=O)NC(Cc1ccccc1)C(=O)O)C1CCN=C(N)N1)C(=O)NC(C=O)Cc1ccccc1
InChI	InChI=1S/C30H39N7O6/c1-18(2)24(26(39)33-21(17-38)15-19-9-5-3-6-10-19)36-27(40)25(22-13-14-32-29(31)34-22)37-30(43)35-23(28(41)42)16-20-11-7-4-8-12-20/h3-12,17-18,21-25H,13-16H2,1-2H3,(H,33,39)(H,36,40)(H,41,42)(H3,31,32,34)(H2,35,37,43)
InChIKey	BTAKGODFEIZKSQ-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Einecs 257-383-4 (CHEBI:181214) is a dipeptide (CHEBI:46761)

IUPAC Name
2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid

Manual Xrefs	Databases
93477	ChemSpider

Registry Numbers	Sources
CAS:51759-77-4	ChemIDplus