Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 17:44:59 UTC
Update Date2022-08-31 06:53:32 UTC
Metabolite IDMMDBc0028110
Metabolite Identification
Common NameAspercryptin A2
DescriptionAspercryptin A2 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Aspercryptin A2.
Structure
SynonymsNot Available
Molecular FormulaC37H71N7O8
Average Mass742.016
Monoisotopic Mass741.536412274
IUPAC Name(2S)-2-{[(2S)-2-{[(2S,3S)-2-{[(2R,3R)-2-{[(2R)-2-amino-1-hydroxypropylidene]amino}-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-1-hydroxyoctylidene]amino}-N-[(2S)-1-hydroxydodecan-2-yl]butanediimidic acid
Traditional Name(2S)-2-{[(2S)-2-{[(2S,3S)-2-{[(2R,3R)-2-{[(2R)-2-amino-1-hydroxypropylidene]amino}-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-1-hydroxyoctylidene]amino}-N-[(2S)-1-hydroxydodecan-2-yl]butanediimidic acid
CAS Registry NumberNot Available
SMILES
[H][C@](C)(N)C(O)=N[C@@]([H])(C(O)=N[C@]([H])(C(O)=N[C@@]([H])(CCCCCC)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N[C@]([H])(CO)CCCCCCCCCC)[C@@]([H])(C)CC)[C@@]([H])(C)O
InChI Identifier
InChI=1S/C37H71N7O8/c1-7-10-12-14-15-16-17-18-20-27(23-45)40-35(50)29(22-30(39)47)42-34(49)28(21-19-13-11-8-2)41-36(51)31(24(4)9-3)43-37(52)32(26(6)46)44-33(48)25(5)38/h24-29,31-32,45-46H,7-23,38H2,1-6H3,(H2,39,47)(H,40,50)(H,41,51)(H,42,49)(H,43,52)(H,44,48)/t24-,25+,26+,27-,28-,29-,31-,32+/m0/s1
InChI KeyRKWVLPAISBWKHV-SYEIMXEMSA-N