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CHEBI:210502 - Deimino-antipain

ChEBI IDCHEBI:210502
ChEBI NameDeimino-antipain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43N9O7
Net Charge0
Average Mass605.697
Monoisotopic Mass605.32854
SMILESCC(C)[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C27H43N9O7/c1-16(2)21(23(39)33-18(15-37)10-6-12-31-25(28)29)36-22(38)19(11-7-13-32-26(30)42)34-27(43)35-20(24(40)41)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,33,39)(H,36,38)(H,40,41)(H4,28,29,31)(H3,30,32,42)(H2,34,35,43)/t18?,19-,20-,21-/m0/s1
InChIKeyBSQUDBCOAFMVDB-KTYMLHDXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27797509)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Deimino-antipain (CHEBI:210502) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
78440582ChemSpider