(Q27134130)

English

complestatin A

chemical compound

neuroprotectin A

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,341.1053944399994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₁H₄₅Cl₆N₇O₁₆

1 reference

language of work or name

Neuroprotectin A (English)

7 October 2016

canonical SMILES

CN1C(CC2=CC=C(C=C2)OC3=C(C4=CC(=C3)C(C(=O)NC(C1=O)C5=CC(=C(C(=C5)Cl)O)Cl)NC(=O)C(NC(=O)C(CC6C7=C(C=C4C=C7)NC6=O)NC(=O)C(=O)C8=CC(=C(C(=C8)Cl)O)Cl)C9=CC(=C(C(=C9)Cl)O)Cl)O)C(=O)NC(C1=CC=C(C=C1)O)C(=O)O

1 reference

language of work or name

Neuroprotectin A (English)

7 October 2016

isomeric SMILES

CN1[C@@H](CC2=CC=C(C=C2)OC3=C(C4=CC(=C3)[C@H](C(=O)N[C@@H](C1=O)C5=CC(=C(C(=C5)Cl)O)Cl)NC(=O)[C@H](NC(=O)[C@@H](CC6C7=C(C=C4C=C7)NC6=O)NC(=O)C(=O)C8=CC(=C(C(=C8)Cl)O)Cl)C9=CC(=C(C(=C9)Cl)O)Cl)O)C(=O)N[C@H](C1=CC=C(C=C1)O)C(=O)O

1 reference

language of work or name

Neuroprotectin A (English)

7 October 2016

1 reference

Neuroprotectins A and B, bicyclohexapeptides protecting chick telencephalic neurons from excitotoxicity. II. Structure determination

Identifiers

InChI=1S/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34?,42-,43+,45-,46-,47-,48-/m1/s1

0 references

ZFUGTFLRENMBAG-HYTWXIRXSA-N

2 references

language of work or name

Neuroprotectin A (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(2R)-({[(17R,20R,23R,26R,29S)-20,26-Bis(3,5-dichloro-4-hydroxyphenyl)-17-{[(3,5-dichloro-4-hydroxyphenyl)(oxo)acetyl]amino}-37-hydroxy-28-methyl-14,18,21,24,27-pentaoxo-2-oxa-13,19,22,25,28-pentaazahe (English)

7 October 2016

2 references

language of work or name

Neuroprotectin A (English)

7 October 2016

matched by identifier from

ZFUGTFLRENMBAG-HYTWXIRXSA-N

1 reference

matched by identifier from

ZFUGTFLRENMBAG-HYTWXIRXSA-N

Reaxys registry number

8894875

1 reference

language of work or name

complestatin A (English)

7 October 2016

mapping relation type

2 references

language of work or name

complestatin A (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34?,42-,43+,45-,46-,47-,48-/m1/s1

1 reference

language of work or name

COMPLESTATINS A (English)

7 October 2016

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZFUGTFLRENMBAG-HYTWXIRXSA-N

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