(Q105345269)

English

(2E,4E,9E,13R)-N-[(E)-3-[[(2S,5S,8R,12S)-5-[(2S)-butan-2-yl]-2-[(1R)-1-hydroxyethyl]-14,14-dimethyl-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

type of chemical entity

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subclass of

biogenic cyclopeptide

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mass

715.426861784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₇N₇O₈

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canonical SMILES

CCC(C)C1NC(=O)C(C(C)O)N2C(=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@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)N2C(=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

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stated in

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

Identifiers

InChI

InChI=1S/C36H57N7O8/c1-7-23(2)30-33(49)40-26(32(48)39-22-27-35(51)43(36(5,6)42-27)31(25(4)45)34(50)41-30)21-38-29(47)19-20-37-28(46)18-16-14-12-10-8-9-11-13-15-17-24(3)44/h11-14,16,18-20,23-27,30-31,42,44-45H,7-10,15,17,21-22H2,1-6H3,(H,37,46)(H,38,47)(H,39,48)(H,40,49)(H,41,50)/b13-11+,14-12+,18-16+,20-19+/t23-,24+,25+,26+,27-,30-,31-/m0/s1

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InChIKey

XZZVOQKBPDAPKO-DYCVRASFSA-N

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1 reference

15 September 2022

1 reference

(Q105345269)

(2E,4E,9E,13R)-N-[(E)-3-[[(2S,5S,8R,12S)-5-[(2S)-butan-2-yl]-2-[(1R)-1-hydroxyethyl]-14,14-dimethyl-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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