Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002970
PROPERTIES
| NPAID | NPA002970 |
|---|---|
| CLUSTER ID | 535 |
| NODE ID | 477 |
| NAME | Neuroprotectin A |
| FORMULA | C61H43Cl8N7O16 |
| MOLECULAR WEIGHT (Da) | 1413.6720 |
| ACCURATE MASS (Da) | 1409.0274 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | YTGBVRJUYNNOLR-MLZBPISLSA-N |
| InChI | InChI=1S/C61H43Cl8N7O16/c1-76-42(56(85)75-47(61(90)91)26-14-36(66)52(81)37(67)15-26)8-21-2-5-28(6-3-21)92-43-19-23-9-30(49(43)78)22-4-7-29-31(54(83)70-40(29)18-22)20-41(71-59(88)48(77)27-16-38(68)53(82)39(69)17-27)55(84)72-45(24-10-32(62)50(79)33(63)11-24)57(86)73-44(23)58(87)74-46(60(76)89)25-12-34(64)51(80)35(65)13-25/h2-7,9-19,31,41-42,44-47,78-82H,8,20H2,1H3,(H,70,83)(H,71,88)(H,72,84)(H,73,86)(H,74,87)(H,75,85)(H,90,91)/t31-,41-,42+,44-,45-,46-,47-/m1/s1 |
| SMILES | CN1C(=O)[C@@H](C2=CC(Cl)=C(O)C(Cl)=C2)NC(=O)[C@@H]2NC(=O)[C@@H](C3=CC(Cl)=C(O)C(Cl)=C3)NC(=O)[C@H](NC(=O)C(=O)C3=CC(Cl)=C(O)C(Cl)=C3)C[C@H]3C(=O)NC4=C3C=CC(=C4)C3=CC2=CC(=C3O)OC2=CC=C(C=C2)C[C@H]1C(=O)N[C@@H](C(=O)O)C1=CC(Cl)=C(O)C(Cl)=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | KOBAYASHI, HIROYUKI; SHIN-YA, KAZUO; FURIHATA, KAZUO; NAGAI, KOJI; SUZUKI, KEN-ICHI; HAYAKAWA, YOICHI; SETO, HARUO; YUN, BONG-SIK; RYOO, IN-JA; KIM, JUNG-SIK; KIM, CHANG-JIN; YOO, ICK-DONG Neuroprotectins A and B, Bicyclohexapeptides Protecting Chick Telencephalic Neurons from Excitotoxicity. II. Structure Determination Journal of Antibiotics 2001 54 (12) 1019-1024. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.1019 | PMID | 11858655 |
SYNTHESES
| CITATION 1 | Breazzano SP; Boger DL Synthesis and stereochemical determination of complestatin A and B (neuroprotectin A and B). Journal of the American Chemical Society 2011 133 (45) 18495-502. DOI: 10.1021/ja208570q PMID: 21991993 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | 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 | KOBAYASHI, HIROYUKI; SHIN-YA, KAZUO; FURIHATA, KAZUO; NAGAI, KOJI; SUZUKI, KEN-ICHI; HAYAKAWA, YOICHI; SETO, HARUO; YUN, BONG-SIK; RYOO, IN-JA; KIM, JUNG-SIK; KIM, CHANG-JIN; YOO, ICK-DONG Neuroprotectins A and B, Bicyclohexapeptides Protecting Chick Telencephalic Neurons from Excitotoxicity. II. Structure Determination Journal of Antibiotics 2001 54 (12) 1019-1024. DOI: 10.7164/antibiotics.54.1019 PMID: 11858655 | ||
| 2 | CN1C(=O)[C@@H](C2=CC(Cl)=C(O)C(Cl)=C2)NC(=O)[C@@H]2NC(=O)[C@@H](C3=CC(Cl)=C(O)C(Cl)=C3)NC(=O)[C@H](NC(=O)C(=O)C3=CC(Cl)=C(O)C(Cl)=C3)C[C@H]3C(=O)NC4=C3C=CC(=C4)C3=CC2=CC(=C3O)OC2=CC=C(C=C2)C[C@H]1C(=O)N[C@@H](C(=O)O)C1=CC(Cl)=C(O)C(Cl)=C1 | Breazzano SP; Boger DL Synthesis and stereochemical determination of complestatin A and B (neuroprotectin A and B). Journal of the American Chemical Society 2011 133 (45) 18495-502. DOI: 10.1021/ja208570q PMID: 21991993 | ||
