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name Structure Reference Source Properties Activities Metabolism

(3S,9S,12S,15S,21S,24S,27S)-9-(4-aminobutyl)-12,21-bis[(4-hydroxyphenyl)methyl]-24-isopropyl-1,7,10,13,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹⁵,¹⁹]triacontane-2,8,11,14,20,23,26-heptone

AlkaPlorer ID: AK586853

Synonym: None

IUPAC Name: 9-(4-aminobutyl)-12,21-bis[(4-hydroxyphenyl)methyl]-24-propan-2-yl-1,7,10,13,19,22,25-heptazatetracyclo[25.3.0.03,7.015,19]triacontane-2,8,11,14,20,23,26-heptone

Structure

SMILES: CC(C)C1N=C(O)C2CCCN2C(=O)C2CCCN2C(=O)C(CCCCN)N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)N=C1O

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InChI: InChI=1S/C44H60N8O9/c1-26(2)37-41(58)48-33(25-28-14-18-30(54)19-15-28)43(60)50-21-5-9-34(50)39(56)47-32(24-27-12-16-29(53)17-13-27)38(55)46-31(8-3-4-20-45)42(59)52-23-7-11-36(52)44(61)51-22-6-10-35(51)40(57)49-37/h12-19,26,31-37,53-54H,3-11,20-25,45H2,1-2H3,(H,46,55)(H,47,56)(H,48,58)(H,49,57)

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InChIKey: YWWLXTBSRGKFHI-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 845.011

TPSA？: 257.77

MolLogP？: 3.955000000000007

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information