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CHEBI:227893 - Dehydrated antipain

ChEBI IDCHEBI:227893
ChEBI NameDehydrated antipain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42N10O5
Net Charge0
Average Mass586.698
Monoisotopic Mass586.33396
SMILESCC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)NC1=CN(C(=N)N)CCC1
InChIInChI=1S/C27H42N10O5/c1-16(2)21(23(39)33-18-10-7-13-37(15-18)26(30)31)36-22(38)19(11-6-12-32-25(28)29)34-27(42)35-20(24(40)41)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,19-21H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,40,41)(H4,28,29,32)(H2,34,35,42)/t19-,20-,21-/m0/s1
InChIKeyOEFDXGHEALUNEP-ACRUOGEOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27498895)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Dehydrated antipain (CHEBI:227893) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[[(2S)-1-[(1-carbamimidoyl-3,4-dihydro-2H-pyridin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
76775236ChemSpider