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name Structure Reference Source Properties Activities Metabolism

(3S,9S,12S,15S,24S,27S)-24-benzyl-9,12,15-tris(2-methylpropyl)-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0³,⁷]triacontan-2,8,11,14,17,20,23,26-octone

AlkaPlorer ID: AK023762

Synonym: None

IUPAC Name: (3S,9S,12S,15S,24S,27S)-24-benzyl-9,12,15-tris(2-methylpropyl)-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontane-2,8,11,14,17,20,23,26-octone

Structure

SMILES: CC(C)C[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O

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InChI: InChI=1S/C41H62N8O8/c1-24(2)18-28-37(53)45-29(19-25(3)4)38(54)47-31(20-26(5)6)40(56)49-17-11-15-33(49)41(57)48-16-10-14-32(48)39(55)46-30(21-27-12-8-7-9-13-27)36(52)43-22-34(50)42-23-35(51)44-28/h7-9,12-13,24-26,28-33H,10-11,14-23H2,1-6H3,(H,42,50)(H,43,52)(H,44,51)(H,45,53)(H,46,55)(H,47,54)/t28-,29-,30-,31-,32-,33-/m0/s1

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InChIKey: YXKOCURCFHLHSM-FSJACQRISA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Citrus natsudaidai Citrus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 794.9949999999999

TPSA？: 215.22

MolLogP？: 0.5346000000000113

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information