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name Structure Reference Source Properties Activities Metabolism

(3S,6S,12R,15S,21S,24R,27R)-24-benzyl-15-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-12,21-bis(2-methylpropyl)-1,4,10,13,16,19,22,25-octaazatricyclo[25.3.0.0⁶,¹⁰]triacontan-2,5,11,14,17,20,23,26-octone

AlkaPlorer ID: AK086218

Synonym: None

IUPAC Name: (3S,6S,12R,15S,21S,24R,27R)-24-benzyl-15-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-12,21-bis(2-methylpropyl)-1,4,10,13,16,19,22,25-octazatricyclo[25.3.0.06,10]triacontane-2,5,11,14,17,20,23,26-octone

Structure

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

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InChI: InChI=1S/C40H60N8O10/c1-22(2)17-26-34(52)41-20-32(51)46-33(24(5)50)38(56)44-28(18-23(3)4)39(57)47-15-9-14-31(47)37(55)45-29(21-49)40(58)48-16-10-13-30(48)36(54)43-27(35(53)42-26)19-25-11-7-6-8-12-25/h6-8,11-12,22-24,26-31,33,49-50H,9-10,13-21H2,1-5H3,(H,41,52)(H,42,53)(H,43,54)(H,44,56)(H,45,55)(H,46,51)/t24-,26-,27+,28+,29-,30+,31-,33-/m0/s1

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InChIKey: DWLMDVRFGKXJCT-ANJACJHOSA-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: 812.9660000000001

TPSA？: 276.62

MolLogP？: 3.2720000000000065

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information