Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032281
PROPERTIES
| NPAID | NPA032281 |
|---|---|
| CLUSTER ID | 8243 |
| NODE ID | 5598 |
| NAME | Heptavalinamide A |
| FORMULA | C58H99N9O10 |
| MOLECULAR WEIGHT (Da) | 1082.4830 |
| ACCURATE MASS (Da) | 1081.7515 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. |
| InChIKey | DPRGAQAMXDFJHM-IAUAMBRNSA-N |
| InChI | InChI=1S/C58H99N9O10/c1-33(2)43(59(15)16)51(69)66(23)49(39(13)14)57(75)67-31-27-30-41(67)50(68)61(18)45(35(5)6)53(71)63(20)47(37(9)10)55(73)65(22)48(38(11)12)56(74)64(21)46(36(7)8)54(72)62(19)44(34(3)4)52(70)60(17)42(58(76)77)32-40-28-25-24-26-29-40/h24-26,28-29,33-39,41-49H,27,30-32H2,1-23H3,(H,76,77)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 |
| SMILES | CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)N(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Suo, Rei; Watanabe, Ryuichi; Takada, Kentaro; Suzuki, Toshiyuki; Oikawa, Hiroshi; Itoi, Shiro; Sugita, Haruo; Matsunaga, Shigeki Heptavalinamide A, an Extensively N-Methylated Linear Nonapeptide from a Cyanobacterium Symploca sp. and Development of a Highly Sensitive Analysis of N,N-Dimethylvaline by LCMS. Organic Letters 2020 22 (4) 1254-1258. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b04420 | PMID | 32022565 |
