Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 12:27:55 UTC
Update Date2022-08-31 06:47:38 UTC
Metabolite IDMMDBc0022339
Metabolite Identification
Common NameDudawalamide C
DescriptionDudawalamide C belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Based on a literature review very few articles have been published on Dudawalamide C.
Structure
SynonymsNot Available
Molecular FormulaC43H63N5O9
Average Mass794.003
Monoisotopic Mass793.462578629
IUPAC Name(9S,13S,19S)-3-benzyl-4,11-dihydroxy-2,10,10,15-tetramethyl-9-(pent-4-yn-1-yl)-13,16,19-tris(propan-2-yl)-1H,2H,3H,6H,7H,9H,10H,13H,14H,15H,16H,17H,19H,20H,22H,23H,24H,24aH-pyrrolo[2,1-i]1,13-dioxa-4,7,10,16,19-pentaazacyclodocosane-1,7,14,17,20-pentone
Traditional Name(9S,13S,19S)-3-benzyl-4,11-dihydroxy-13,16,19-triisopropyl-2,10,10,15-tetramethyl-9-(pent-4-yn-1-yl)-3H,6H,9H,13H,16H,19H,22H,23H,24H,24aH-pyrrolo[2,1-i]1,13-dioxa-4,7,10,16,19-pentaazacyclodocosane-1,7,14,17,20-pentone
CAS Registry NumberNot Available
SMILES
[H]C12CCCN1C(=O)[C@@]([H])(OC(=O)C([H])(C(C)C)N(C)C(=O)[C@@]([H])(N=C(O)C(C)(C)[C@]([H])(CCCC#C)OC(=O)CN=C(O)C([H])(CC1=CC=CC=C1)N(C)C2=O)C(C)C)C(C)C
InChI Identifier
InChI=1S/C43H63N5O9/c1-12-13-15-22-32-43(8,9)42(55)45-34(26(2)3)39(52)47(11)35(27(4)5)41(54)57-36(28(6)7)40(53)48-23-18-21-30(48)38(51)46(10)31(24-29-19-16-14-17-20-29)37(50)44-25-33(49)56-32/h1,14,16-17,19-20,26-28,30-32,34-36H,13,15,18,21-25H2,2-11H3,(H,44,50)(H,45,55)/t30?,31?,32-,34-,35?,36-/m0/s1
InChI KeyTVTZPUKLHDXORU-FDPUWSJRSA-N