(Q105386369)

English

(2E,4E,9E,13R)-N-[(E)-3-[[(5S,8R,12S)-14,14-dimethyl-5-(2-methylpropyl)-3,6,9,15-tetraoxo-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl]methylamino]-3-oxoprop-1-enyl]-13-hydroxytetradeca-2,4,9-trienamide

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

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mass

671.400647036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₃N₇O₇

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canonical SMILES

CC(C)CC1NC(=O)CN2C(=O)C(CNC(=O)C(CNC(=O)C=CNC(=O)C=CC=CCCCC=CCCC(C)O)NC1=O)NC2(C)C

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isomeric SMILES

CC(C)C[C@@H]1NC(=O)CN2C(=O)[C@H](CNC(=O)[C@@H](CNC(=O)/C=C/NC(=O)/C=C/C=C/CCC/C=C/CC[C@@H](C)O)NC1=O)NC2(C)C

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found in taxon

Streptomyces

1 reference

stated in

Antibacterial Cyclic Lipopeptide Enamidonins with an Enamide-Linked Acyl Chain from a Streptomyces Species

Identifiers

InChI

InChI=1S/C34H53N7O7/c1-23(2)19-25-32(47)39-26(31(46)37-21-27-33(48)41(22-30(45)38-25)34(4,5)40-27)20-36-29(44)17-18-35-28(43)16-14-12-10-8-6-7-9-11-13-15-24(3)42/h9-12,14,16-18,23-27,40,42H,6-8,13,15,19-22H2,1-5H3,(H,35,43)(H,36,44)(H,37,46)(H,38,45)(H,39,47)/b11-9+,12-10+,16-14+,18-17+/t24-,25+,26-,27+/m1/s1

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InChIKey

ZYRPJWFPEVMJTO-JSTHVSKWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZYRPJWFPEVMJTO-JSTHVSKWSA-N

1 reference

(Q105386369)

(2E,4E,9E,13R)-N-[(E)-3-[[(5S,8R,12S)-14,14-dimethyl-5-(2-methylpropyl)-3,6,9,15-tetraoxo-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl]methylamino]-3-oxoprop-1-enyl]-13-hydroxytetradeca-2,4,9-trienamide

Statements

Identifiers

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