kaitocephalin (Q27272312)

Kaitocephalin (English)

(2R,5S)-2-[(1S,2S)-2-amino-2-carboxy-1-hydroxyethyl]-5-[(2R)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl]pyrrolidine-2-carboxylic acid

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₁Cl₂N₃O₉

1 reference

Kaitocephalin (English)

19 October 2016

canonical SMILES

C1CC(NC1CC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)Cl)O)Cl)(C(C(C(=O)O)N)O)C(=O)O

1 reference

Kaitocephalin (English)

19 October 2016

isomeric SMILES

C1C[C@@](N[C@H]1C[C@@H](C(=O)O)NC(=O)C2=CC(=C(C(=C2)Cl)O)Cl)([C@H]([C@H](C(=O)O)N)O)C(=O)O

1 reference

Kaitocephalin (English)

19 October 2016

found in taxon

Penicillium miczynskii

1 reference

Structure of kaitocephalin, a novel glutamate receptor antagonist produced by Eupenicillium shearii

subject has role

excitatory amino acid antagonist

1 reference

Medical Subject Headings

MeSH descriptor ID

C442421

InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1

15 March 2018

Identifiers

InChI

1 reference

Kaitocephalin (English)

19 October 2016

1 reference

Global Substance Registration System

Kaitocephalin (English)

19 October 2016

2 references

UNII

9B96C79PCS

kaitocephalin (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=198710-92-8

8 April 2021

1 reference

(5R)-2-[(1S,2R)-2-Amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline (English)

19 October 2016

2 references

Kaitocephalin (English)

matched by identifier from

19 October 2016

matched by identifier from

1 reference

1 reference

MeSH descriptor ID

C442421

1 reference

Global Substance Registration System

Medical Subject Headings

14 March 2018

2 references

UNII

9B96C79PCS

kaitocephalin (English)

matched by identifier from

19 October 2016

Google Knowledge Graph ID

PDB ligand ID

0YS

0 references

0 references

1 reference

inferred by common MeSH mappings on source and on Wikidata

4GXS (English)

19 October 2016

1 reference

UMLS 2023