(Q125617520)

English

(2E,4E,9E,13R)-N-[(E)-3-[[(5S,8R,12S)-5-benzyl-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

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

705.3849969720001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₁N₇O₇

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canonical SMILES

O=C(C=CC=CCCCC=CCCC(O)C)NC=CC(=O)NCC1NC(=O)C(NC(=O)CN2C(=O)C(NC2(C)C)CNC1=O)CC=3C=CC=CC3

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isomeric SMILES

C[C@@H](O)CC/C=C/CCC/C=C/C=C/C(=O)N/C=C/C(=O)NC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CN2C(=O)[C@H](CNC1=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/C37H51N7O7/c1-26(45)16-12-9-7-5-4-6-8-10-15-19-31(46)38-21-20-32(47)39-23-29-34(49)40-24-30-36(51)44(37(2,3)43-30)25-33(48)41-28(35(50)42-29)22-27-17-13-11-14-18-27/h7-11,13-15,17-21,26,28-30,43,45H,4-6,12,16,22-25H2,1-3H3,(H,38,46)(H,39,47)(H,40,49)(H,41,48)(H,42,50)/b9-7+,10-8+,19-15+,21-20+/t26-,28+,29-,30+/m1/s1

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InChIKey

HEQUMWPCRPDUAA-GTLODUBCSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

HEQUMWPCRPDUAA-GTLODUBCSA-N

(Q125617520)

(2E,4E,9E,13R)-N-[(E)-3-[[(5S,8R,12S)-5-benzyl-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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