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name Structure Reference Source Properties Activities Metabolism

(3S,6S,9S,12S,18S,21S,24S,27S,30S)-3,18-bis[(2S)-butan-2-yl]-24,27-bis[(4-hydroxyphenyl)methyl]-6,21-diisopropyl-9-methyl-1,4,7,10,16,19,22,25,28-nonaazatricyclo[28.3.0.0¹²,¹⁶]tritriacontane-2,5,8,11,17,20,23,26,29-nonone

AlkaPlorer ID: AK338639

Synonym: None

IUPAC Name: 3,18-di(butan-2-yl)-24,27-bis[(4-hydroxyphenyl)methyl]-9-methyl-6,21-di(propan-2-yl)-1,4,7,10,16,19,22,25,28-nonazatricyclo[28.3.0.012,16]tritriacontane-2,5,8,11,17,20,23,26,29-nonone

Structure

SMILES: CCC(C)C1N=C(O)C(C(C)C)N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C2CCCN2C(=O)C(C(C)CC)N=C(O)C(C(C)C)N=C(O)C(C)N=C(O)C2CCCN2C1=O

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InChI: InChI=1S/C53H77N9O11/c1-10-30(7)43-52(72)61-24-12-14-39(61)48(68)54-32(9)45(65)57-41(28(3)4)50(70)59-44(31(8)11-2)53(73)62-25-13-15-40(62)49(69)56-37(26-33-16-20-35(63)21-17-33)46(66)55-38(27-34-18-22-36(64)23-19-34)47(67)58-42(29(5)6)51(71)60-43/h16-23,28-32,37-44,63-64H,10-15,24-27H2,1-9H3,(H,54,68)(H,55,66)(H,56,69)(H,57,65)(H,58,67)(H,59,70)(H,60,71)

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InChIKey: AXYWUYLSRAOXQF-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 1016.2509999999994

TPSA？: 309.21000000000004

MolLogP？: 7.578400000000008

Number of H-Donors: 9

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information