(Q115972012)

English

(3S,9S,15S,21S)-9-[(S)-hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

chemical compound

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instance of

type of chemical entity

0 references

subclass of

9-[hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

1 reference

based on heuristic

inferred from InChIKey

mass

800.385725244 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betaR)-beta-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl]

2 references

based on heuristic

inferred from InChIKey

1 reference

(3S,9R,15S,21S)-9-[(R)-hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₅₂N₈O₉

0 references

canonical SMILES

O=C1NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC1)C(O)C3=CC=C(O)C(=C3)CC=C(C)C)C(C)C)CC4=CNC=5C=CC=CC54

0 references

isomeric SMILES

CC(C)=CCc1cc([C@H](O)[C@@H]2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1O

0 references

found in taxon

Aspergillus flavipes

1 reference

stated in

Antibacterial and NF-κB Inhibitory Lumazine Peptides, Aspochalasin, γ-Butyrolactone Derivatives, and Cyclic Peptides from a Hawaiian Aspergillus flavipes

Identifiers

InChI

InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36-,37-/m0/s1

0 references

InChIKey

BNPYZZVTLFIGQT-HEOVOHAHSA-N

0 references

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

BNPYZZVTLFIGQT-HEOVOHAHSA-N

(Q115972012)

(3S,9S,15S,21S)-9-[(S)-hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

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