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CHEBI:84832 - Boc-Gln-Ala-Arg-7-amino-4-methylcoumarin

ChEBI IDCHEBI:84832
ChEBI NameBoc-Gln-Ala-Arg-7-amino-4-methylcoumarin
Stars
DefinitionA tripeptide consisting of Gln-Ala-Arg carrying a Boc group at the N-terminal and a 7-amino-4-methylcoumarin group at the C-terminal.
Last Modified20 April 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC29H42N8O8
Net Charge0
Average Mass630.703
Monoisotopic Mass630.31256
SMILESCc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C29H42N8O8/c1-15-13-23(39)44-21-14-17(8-9-18(15)21)35-26(42)19(7-6-12-33-27(31)32)36-24(40)16(2)34-25(41)20(10-11-22(30)38)37-28(43)45-29(3,4)5/h8-9,13-14,16,19-20H,6-7,10-12H2,1-5H3,(H2,30,38)(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H4,31,32,33)/t16-,19-,20-/m0/s1
InChIKeyLQSLBVXESNRILG-VDGAXYAQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Boc-Gln-Ala-Arg-7-amino-4-methylcoumarin (CHEBI:84832) is a carbamate ester (CHEBI:23003)
Boc-Gln-Ala-Arg-7-amino-4-methylcoumarin (CHEBI:84832) is a coumarins (CHEBI:23403)
Boc-Gln-Ala-Arg-7-amino-4-methylcoumarin (CHEBI:84832) is a tripeptide (CHEBI:47923)
IUPAC Name 
N2-(tert-butoxycarbonyl)-L-glutaminyl-L-alanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-argininamide
Synonyms  Source
Boc-Gln-Ala-Arg-methylcoumarin amideChEBI
Boc-Gln-Ala-Arg-AMCAChEBI
Registry NumbersSources
Reaxys:8818380Reaxys
Citations