(Q104887478)

English

2-[[3-Benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid

group of stereoisomers with the chemical formula C₄₄H₅₇N₇O₉

In more languages

default for all languages

No label defined

No description defined

edit

Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

827.421776404 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₇N₇O₉

0 references

canonical SMILES

CC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C(=O)C(CCc2ccc(O)cc2)NC1=O

0 references

found in taxon

Nodularia spumigena

1 reference

stated in

Chemical and Genetic Diversity of Nodularia spumigena from the Baltic Sea

Anabaena

1 reference

stated in

Chemical and Genetic Diversity of Nodularia spumigena from the Baltic Sea

Identifiers

InChI

InChI=1S/C44H57N7O9/c1-27(2)37-41(56)46-34(23-20-29-18-21-32(52)22-19-29)42(57)51(4)28(3)38(53)47-35(25-30-13-7-5-8-14-30)39(54)45-24-12-11-17-33(40(55)50-37)48-44(60)49-36(43(58)59)26-31-15-9-6-10-16-31/h5-10,13-16,18-19,21-22,27-28,33-37,52H,11-12,17,20,23-26H2,1-4H3,(H,45,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H2,48,49,60)

0 references

InChIKey

ROZAAMMJQDDESR-UHFFFAOYSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

ROZAAMMJQDDESR-UHFFFAOYSA-N

ChEBI ID

221501

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C44H57N7O9/c1-27(2)37-41(56)46-34(23-20-29-18-21-32(52)22-19-29)42(57)51(4)28(3)38(53)47-35(25-30-13-7-5-8-14-30)39(54)45-24-12-11-17-33(40(55)50-37)48-44(60)49-36(43(58)59)26-31-15-9-6-10-16-31/h5-10,13-16,18-19,21-22,27-28,33-37,52H,11-12,17,20,23-26H2,1-4H3,(H,45,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H2,48,49,60)

1 reference

Natural Product Atlas ID

NPA028803

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ROZAAMMJQDDESR-UHFFFAOYSA-N

(Q104887478)

2-[[3-Benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)