Sch 218157
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| Category | Bioactive by-products |
| Catalog number | BBF-02434 |
| CAS | |
| Molecular Weight | 1136.4 |
| Molecular Formula | C57H89N11O13 |
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Description
Sch 218157 is a cyclodepsipeptide isolated from an unidentified fungus MYCO-2833. It selectively binds to NK2 receptor with IC50 of 68 nmol/L.
Specification
| Synonyms | Sch-218157 |
| IUPAC Name | 3-[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-27-(3-amino-3-oxopropyl)-21-benzyl-24-butan-2-yl-3-[(2S)-butan-2-yl]-7,10,28-trimethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-9,30-di(propan-2-yl)-25-oxa-1,4,7,10,13,19,22,28,31-nonazatricyclo[31.4.0.015,19]heptatriacontan-6-yl]propanamide |
| Canonical SMILES | CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(C(=O)N3CCCC3C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)N1)CCC(=O)N)C)C(C)C)C)CC4=CC=CC=C4)C(C)CC)CCC(=O)N)C)C(C)C |
| InChI | InChI=1S/C57H89N11O13/c1-12-34(7)46-55(78)68-28-18-17-22-40(68)51(74)62-45(32(3)4)54(77)65(10)41(25-27-43(59)70)57(80)81-48(35(8)13-2)52(75)61-37(30-36-20-15-14-16-21-36)53(76)67-29-19-23-39(67)49(72)60-31-44(71)66(11)47(33(5)6)56(79)64(9)38(50(73)63-46)24-26-42(58)69/h14-16,20-21,32-35,37-41,45-48H,12-13,17-19,22-31H2,1-11H3,(H2,58,69)(H2,59,70)(H,60,72)(H,61,75)(H,62,74)(H,63,73)/t34-,35?,37-,38-,39-,40-,41-,45-,46-,47-,48-/m0/s1 |
| InChI Key | QCJQYVAVPCMYKU-GBSCZGIASA-N |
Properties
| Appearance | White to Pale Yellow Solid |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
