Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:36:02 UTC
Update Date2022-08-31 06:43:46 UTC
Metabolite IDMMDBc0018394
Metabolite Identification
Common NameTerpeptin
DescriptionTerpeptin belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Terpeptin is a very strong basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC28H40N4O3
Average Mass480.653
Monoisotopic Mass480.310041164
IUPAC Name(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N,3-dimethylbutanamido]-3-methyl-N-[(Z)-2-[2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]ethenyl]butanimidic acid
Traditional Name(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N,3-dimethylbutanamido]-3-methyl-N-[(Z)-2-[2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]ethenyl]butanimidic acid
CAS Registry NumberNot Available
SMILES
[H]\C(N=C(O)[C@]([H])(C(C)C)N(C)C(=O)[C@@]([H])(N=C(C)O)C(C)C)=C(/[H])C1=C(CC=C(C)C)NC2=CC=CC=C12
InChI Identifier
InChI=1S/C28H40N4O3/c1-17(2)13-14-24-22(21-11-9-10-12-23(21)31-24)15-16-29-27(34)26(19(5)6)32(8)28(35)25(18(3)4)30-20(7)33/h9-13,15-16,18-19,25-26,31H,14H2,1-8H3,(H,29,34)(H,30,33)/b16-15-/t25-,26-/m0/s1
InChI KeyQKRDCXNLINQVQN-QXYKFECQSA-N