EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C44H73N13O13 |
| Net Charge | 0 |
| Average Mass | 992.146 |
| Monoisotopic Mass | 991.54508 |
| SMILES | [H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)CCNC1=O |
| InChI | InChI=1S/C44H73N13O13/c1-22(2)19-31-40(66)52-27(11-15-45)36(62)51-29(13-17-47)39(65)57-34(23(3)59)43(69)48-18-14-30(53-42(68)33(21-58)56-44(70)35(24(4)60)49-25(5)61)38(64)50-28(12-16-46)37(63)55-32(41(67)54-31)20-26-9-7-6-8-10-26/h6-10,22-24,27-35,58-60H,11-21,45-47H2,1-5H3,(H,48,69)(H,49,61)(H,50,64)(H,51,62)(H,52,66)(H,53,68)(H,54,67)(H,55,63)(H,56,70)(H,57,65)/t23-,24-,27+,28+,29+,30+,31+,32-,33-,34+,35+/m1/s1 |
| InChIKey | JBFNEVNUGGFPBQ-DDMCRLCFSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| spr-741 (CHEBI:749940) is a polypeptide (CHEBI:15841) |
| Synonyms | Source |
|---|---|
| NAB-741 | ChEMBL |
| Spr-741 | ChEMBL |
| Spr741 | ChEMBL |
| Citations |
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