Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005885157 | Gold | 3 |
COMPOUND NPA015799
PROPERTIES
| NPAID | NPA015799 |
|---|---|
| CLUSTER ID | 4273 |
| NODE ID | 96 |
| NAME | Urumamide |
| FORMULA | C51H90N8O10 |
| MOLECULAR WEIGHT (Da) | 975.3270 |
| ACCURATE MASS (Da) | 974.6780 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | sp. |
| InChIKey | QSZUTKACGNSKBA-IBIXCCNUSA-N |
| InChI | InChI=1S/C51H90N8O10/c1-20-32(13)41-51(68)69-42(31(11)12)50(67)55(16)34(15)46(63)56(17)38(26-28(5)6)48(65)57(18)40(30(9)10)49(66)59-24-22-23-37(59)44(61)54-39(29(7)8)45(62)52-35(21-2)33(14)43(60)53-36(25-27(3)4)47(64)58(41)19/h27-42H,20-26H2,1-19H3,(H,52,62)(H,53,60)(H,54,61)/t32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42+/m0/s1 |
| SMILES | CC[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)C(C)C)C(C)C)C)CC(C)C)C)C)C)C(C)C)[C@@H](C)CC)C)CC(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kanamori, Yuki; Iwasaki, Arihiro; Sumimoto, Shinpei; Suenaga, Kiyotake Urumamide, a novel chymotrypsin inhibitor with a β-amino acid from a marine cyanobacterium Okeania sp Tetrahedron Letters 2016 57 (37) 4213-4216. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2016.08.012 | PMID | - |
