Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019981
PROPERTIES
| NPAID | NPA019981 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cycloaspeptide C |
| FORMULA | C35H41N5O6 |
| MOLECULAR WEIGHT (Da) | 627.7420 |
| ACCURATE MASS (Da) | 627.3057 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. (strain NE-45) |
| InChIKey | WBLLMCDBMQQWEY-BJPINVTDSA-N |
| InChI | InChI=1S/C35H41N5O6/c1-21(2)18-29-35(46)40(4)30(20-24-14-16-25(41)17-15-24)34(45)37-27-13-9-8-12-26(27)32(43)36-22(3)31(42)38-28(33(44)39-29)19-23-10-6-5-7-11-23/h5-17,21-22,28-30,41H,18-20H2,1-4H3,(H,36,43)(H,37,45)(H,38,42)(H,39,44)/t22-,28-,29-,30-/m0/s1 |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)CC(C)C)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kobayashi, R; Samejima, Y; Nakajima, S; Kawai, K; Udagawa, S Studies on fungal products. XI. Isolation and structures of novel cyclic pentapeptides from Aspergillus sp. NE-45 Chemical and Pharmaceutical Bulletin 1987 35 (4) 1347-1352. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.35.1347 | PMID | 3652287 |
