(Q27077853)

English

grassystatin A

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,173.689678±0 dalton

1 reference

language of work or name

Grassystatin A (English)

3 October 2016

chemical formula

C₅₈H₉₅N₉O₁₆

1 reference

language of work or name

Grassystatin A (English)

3 October 2016

canonical SMILES

CC(C)CC(C(CC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)OC(=O)C(C(C)C)N(C)C

1 reference

language of work or name

Grassystatin A (English)

3 October 2016

isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C)O)O

1 reference

language of work or name

Grassystatin A (English)

3 October 2016

Lyngbya confervoides

3 references

Grassystatins A-C from marine cyanobacteria, potent cathepsin E inhibitors that reduce antigen presentation

Lyngbyastatins 8-10, elastase inhibitors with cyclic depsipeptide scaffolds isolated from the marine cyanobacterium Lyngbya semiplena

Isolation and biological evaluation of 8-epi-malyngamide C from the Floridian marine cyanobacterium Lyngbya majuscula.

Identifiers

InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1

0 references

JZYWSTGTBRHGTL-BIXXXADNSA-N

1 reference

language of work or name

Grassystatin A (English)

3 October 2016

1 reference

language of work or name

GRASSYSTATIN A (English)

3 October 2016

2 references

language of work or name

Grassystatin A (English)

3 October 2016

matched by identifier from

JZYWSTGTBRHGTL-BIXXXADNSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1

1 reference

language of work or name

GRASSYSTATIN A (English)

3 October 2016

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

JZYWSTGTBRHGTL-BIXXXADNSA-N

DSSTox substance ID

DTXSID401335628

1 reference

matched by identifier from

JZYWSTGTBRHGTL-BIXXXADNSA-N

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

grassystatin A (English)

3 October 2016

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JZYWSTGTBRHGTL-BIXXXADNSA-N

Probes And Drugs ID

0 references

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