Navigation

name Structure Reference Source Properties Activities Metabolism

(2S,5S,8S,14S,20S,23S)-2,20-dibenzyl-5-[(2S)-butan-2-yl]-8-(2-methylpropyl)-1,4,7,10,16,19,22-heptaazatricyclo[21.2.1.0¹⁰,¹⁴]hexacosan-3,6,9,15,18,21,25,26-octone

AlkaPlorer ID: AK534209

Synonym: None

IUPAC Name: (2S,5S,8S,14S,20S,23S)-2,20-dibenzyl-5-[(2S)-butan-2-yl]-8-(2-methylpropyl)-1,4,7,10,16,19,22-heptazatricyclo[21.2.1.010,14]hexacosane-3,6,9,15,18,21,25,26-octone

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N2C(=O)C[C@H](N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)CN=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N=C1O)C2=O

copy

InChI: InChI=1S/C41H53N7O8/c1-5-25(4)35-39(54)45-29(19-24(2)3)40(55)47-18-12-17-31(47)37(52)42-23-33(49)43-28(20-26-13-8-6-9-14-26)36(51)44-30-22-34(50)48(41(30)56)32(38(53)46-35)21-27-15-10-7-11-16-27/h6-11,13-16,24-25,28-32,35H,5,12,17-23H2,1-4H3,(H,42,52)(H,43,49)(H,44,51)(H,45,54)(H,46,53)/t25-,28-,29-,30-,31-,32-,35-/m0/s1

copy

InChIKey: UDQQAHUINNPVOR-YNVRUUDLSA-N

copy

Properties Information

Molecule Weight: 771.9159999999999

TPSA？: 220.64

MolLogP？: 4.953000000000004

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information