CHEBI:182806 - (2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide
ChEBI ID CHEBI:182806
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38N4O7
Net Charge 0
Average Mass 494.589
Monoisotopic Mass 494.27405
InChI InChI=1S/C24H38N4O7/c1-6-7-8-9-10-14(2)21-16(4)23(33)26-15(3)11-12-18(30)28(5)13-17(29)27-19(24(34)35-21)20(31)22(25)32/h11-12,14,16,19-21,31H,3,6-10,13H2,1-2,4-5H3,(H2,25,32)(H,26,33)(H,27,29)/b12-11+/t14-,16+,19+,20+,21?/m1/s1
InChIKey CIRMNTDTIYXVDA-HQWXCZLASA-N
SMILES O1C([C@@H](CCCCCC)C)[C@H](C)C(=O)NC(C=CC(=O)N(CC(=O)N[C@](C1=O)([C@H](O)C(=O)N)[H])C)=C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide (CHEBI:182806) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-[(3S,9E,14S)-7,14-dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide