(3R,6S,9S,12R,15S,18R,21S,24S,30S,33S)-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24,33-pentakis(2-methylpropyl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
AlkaPlorer ID: AK066457
Synonym: None
IUPAC Name: (3R,6S,9S,12R,15S,18R,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24,33-pentakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Structure
SMILES: CCC[C@@H]1N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N=C(O)[C@H](C)N=C(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O
InChI: InChI=1S/C60H109N11O11/c1-25-26-42-56(78)65(18)32-48(72)66(19)43(27-33(2)3)54(76)64-49(38(12)13)59(81)67(20)44(28-34(4)5)52(74)61-40(16)51(73)62-41(17)55(77)69(22)46(30-36(8)9)57(79)70(23)47(31-37(10)11)58(80)71(24)50(39(14)15)60(82)68(21)45(29-35(6)7)53(75)63-42/h33-47,49-50H,25-32H2,1-24H3,(H,61,74)(H,62,73)(H,63,75)(H,64,76)/t40-,41+,42-,43-,44+,45-,46-,47-,49-,50+/m0/s1
InChIKey: NLGBWFHSHJPDQX-LLQFADMPSA-N
Reference
Neue Cyclosporine aus <i>Tolypocladium inflatum</i>. Die Cyclosporine K–Z
PubChem CID: 162868686
LOTUS: LTS0135091
SuperNatural Ⅲ: SN0248613-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tolypocladium inflatum | Tolypocladium | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1160.5979999999995
TPSA？: 272.53000000000003
MolLogP？: 7.103200000000021
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|