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name Structure Reference Source Properties Activities Metabolism

(3R,6S,9R,12R,15S,18R,21S,24S,30S,33S)-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methylhex-4-en-1-yl]-6,9,18,24-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-un

AlkaPlorer ID: AK095365

Synonym: None

IUPAC Name: (3R,6S,9R,12R,15S,18R,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-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: C/C=C/C[C@@H](C)C[C@H]1C(O)=N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C

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InChI: InChI=1S/C63H113N11O11/c1-26-27-28-42(16)33-47-57(79)66-51(39(10)11)61(83)68(19)34-50(75)69(20)45(29-35(2)3)56(78)67-52(40(12)13)62(84)70(21)46(30-36(4)5)55(77)64-43(17)54(76)65-44(18)58(80)72(23)48(31-37(6)7)59(81)73(24)49(32-38(8)9)60(82)74(25)53(41(14)15)63(85)71(47)22/h26-27,35-49,51-53H,28-34H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b27-26+/t42-,43+,44-,45+,46-,47+,48-,49+,51+,52+,53-/m1/s1

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InChIKey: CWJWQZBYLBCRQL-XFCNSTBDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Tolypocladium inflatum Tolypocladium Ophiocordycipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1200.662999999999

TPSA？: 272.53

MolLogP？: 7.90540000000002

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information