(3R,9S,12S,15S,21S,27S,33S)-9-benzyl-12-[(2S)-butan-2-yl]-27-(2-methylpropyl)-1,7,10,13,19,25,28,31-octaazapentacyclo[31.3.0.0³,⁷.0¹⁵,¹⁹.0²¹,²⁵]hexatriacontan-2,8,11,14,20,26,29,32-octone
AlkaPlorer ID: AK179851
Synonym: None
IUPAC Name: (3R,9S,12S,15R,21R,27S,33R)-9-benzyl-12-[(2S)-butan-2-yl]-27-(2-methylpropyl)-1,7,10,13,19,25,28,31-octazapentacyclo[31.3.0.03,7.015,19.021,25]hexatriacontane-2,8,11,14,20,26,29,32-octone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C43H62N8O8/c1-5-27(4)36-39(55)46-30(24-28-13-7-6-8-14-28)41(57)51-22-12-17-33(51)42(58)48-19-9-15-31(48)37(53)44-25-35(52)45-29(23-26(2)3)40(56)50-21-11-18-34(50)43(59)49-20-10-16-32(49)38(54)47-36/h6-8,13-14,26-27,29-34,36H,5,9-12,15-25H2,1-4H3,(H,44,53)(H,45,52)(H,46,55)(H,47,54)/t27-,29-,30-,31+,32+,33+,34+,36-/m0/s1
InChIKey: WPEYBKPDOZMPKC-CSZXBBOTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Goniothalamus griffithii | Goniothalamus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 819.0169999999997
TPSA？: 211.6
MolLogP？: 4.2307000000000095
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|