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name Structure Reference Source Properties Activities Metabolism

(3S,6S,9S,18S,21R,24S,27S)-18,24-dibenzyl-21-(hydroxymethyl)-3-methyl-6-(2-methylpropyl)-1,4,7,13,16,19,22,25-octaazatricyclo[25.3.0.0⁹,¹³]triacontan-2,5,8,14,17,20,23,26-octone

AlkaPlorer ID: AK231491

Synonym: None

IUPAC Name: (3S,6S,9S,18S,21R,24S,27S)-18,24-dibenzyl-21-(hydroxymethyl)-3-methyl-6-(2-methylpropyl)-1,4,7,13,16,19,22,25-octazatricyclo[25.3.0.09,13]triacontane-2,5,8,14,17,20,23,26-octone

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](CO)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](C)N=C1O

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InChI: InChI=1S/C42H56N8O9/c1-25(2)20-29-37(54)44-26(3)42(59)50-19-11-17-34(50)41(58)47-31(22-28-14-8-5-9-15-28)38(55)48-32(24-51)39(56)45-30(21-27-12-6-4-7-13-27)36(53)43-23-35(52)49-18-10-16-33(49)40(57)46-29/h4-9,12-15,25-26,29-34,51H,10-11,16-24H2,1-3H3,(H,43,53)(H,44,54)(H,45,56)(H,46,57)(H,47,58)(H,48,55)/t26-,29-,30-,31-,32+,33-,34-/m0/s1

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InChIKey: SIPLGRFBAGTKMU-JVETWDNUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Stellaria palustris Stellaria Caryophyllaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 816.9569999999998

TPSA？: 256.39

MolLogP？: 4.107700000000006

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information