Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001366
PROPERTIES
| NPAID | NPA001366 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Asperterrestide A |
| FORMULA | C26H32N4O5 |
| MOLECULAR WEIGHT (Da) | 480.5650 |
| ACCURATE MASS (Da) | 480.2373 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | terreus SCSGAF0162 |
| InChIKey | AQBNNSWAQPPMPF-DOWMQLCMSA-N |
| InChI | InChI=1S/C26H32N4O5/c1-5-15(2)20-26(35)30(4)21(22(31)17-11-7-6-8-12-17)25(34)28-19-14-10-9-13-18(19)24(33)27-16(3)23(32)29-20/h6-16,20-22,31H,5H2,1-4H3,(H,27,33)(H,28,34)(H,29,32)/t15-,16-,20+,21-,22-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1NC(=O)[C@H](C)NC(=O)C2=CC=CC=C2NC(=O)[C@H]([C@@H](O)C2=CC=CC=C2)N(C)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | He, Fei; Bao, Jie; Zhang, Xiao-Yong; Tu, Zheng-Chao; Shi, Yi-Ming; Qi, Shu-Hua Asperterrestide A, a cytotoxic cyclic tetrapeptide from the marine-derived fungus Aspergillus terreus SCSGAF0162 Journal of Natural Products 2013 76 (6) 1182-1186. | ||
|---|---|---|---|
| DOI | 10.1021/np300897v | PMID | 23806112 |
SYNTHESES
| CITATION 1 | Ohsawa K; Sugai M; Zhang L; Masuda Y; Yoshida M; Doi T Total Synthesis and Structural Revision of Cyclotetrapeptide Asperterrestide A. Journal of Organic Chemistry 2019 84 (11) 6765-6779. DOI: 10.1021/acs.joc.9b00526 PMID: 31070032 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC(C)[C@@H]1C(=O)N([C@@H](C(=O)NC2=CC=CC=C2C(=O)N[C@@H](C(=O)N1)C)[C@H](C3=CC=CC=C3)O)C | He, Fei; Bao, Jie; Zhang, Xiao-Yong; Tu, Zheng-Chao; Shi, Yi-Ming; Qi, Shu-Hua Asperterrestide A, a cytotoxic cyclic tetrapeptide from the marine-derived fungus Aspergillus terreus SCSGAF0162 Journal of Natural Products 2013 76 (6) 1182-1186. DOI: 10.1021/np300897v PMID: 23806112 | ||
| 2 | CC[C@H](C)[C@H]1NC(=O)[C@H](C)NC(=O)C2=CC=CC=C2NC(=O)[C@H]([C@@H](O)C2=CC=CC=C2)N(C)C1=O | Ohsawa K; Sugai M; Zhang L; Masuda Y; Yoshida M; Doi T Total Synthesis and Structural Revision of Cyclotetrapeptide Asperterrestide A. Journal of Organic Chemistry 2019 84 (11) 6765-6779. DOI: 10.1021/acs.joc.9b00526 PMID: 31070032 | ||
