Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00000839197 | Bronze | Dereplicator&Identification&-&E'Surugamide_B' |
COMPOUND NPA008101
PROPERTIES
NPAID | NPA008101 |
---|---|
CLUSTER ID | 26 |
NODE ID | 26 |
NAME | Surugamide B |
FORMULA | C47H79N9O8 |
MOLECULAR WEIGHT (Da) | 898.2040 |
ACCURATE MASS (Da) | 897.6052 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | IEWHPTFFMRBBPQ-NPSZZZSPSA-N |
InChI | InChI=1S/C47H79N9O8/c1-12-28(8)37-45(62)49-31(11)40(57)54-39(30(10)14-3)47(64)53-36(27(6)7)44(61)50-33(22-18-19-23-48)41(58)55-38(29(9)13-2)46(63)52-35(25-32-20-16-15-17-21-32)42(59)51-34(24-26(4)5)43(60)56-37/h15-17,20-21,26-31,33-39H,12-14,18-19,22-25,48H2,1-11H3,(H,49,62)(H,50,61)(H,51,59)(H,52,63)(H,53,64)(H,54,57)(H,55,58)(H,56,60)/t28-,29-,30-,31+,33-,34+,35+,36+,37-,38-,39-/m0/s1 |
SMILES | CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)C)[C@@H](C)CC)CC(C)C)CC2=CC=CC=C2)[C@@H](C)CC)CCCCN)C(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Takada, Kentaro; Ninomiya, Akihiro; Naruse, Masato; Sun, Yi; Miyazaki, Masayuki; Nogi, Yuichi; Okada, Shigeru; Matsunaga, Shigeki Surugamides A-E, cyclic octapeptides with four D-amino acid residues, from a marine streptomyces sp.: LC-MS-aided inspection of partial hydrolysates for the distinction of D- and L-amino acid residues in the sequence Journal of Organic Chemistry 2013 78 (13) 6746-6750. | ||
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DOI | 10.1021/jo400708u | PMID | 23745669 |