(3R,6S,9R,12S,15S)-6,9-dibenzyl-12-[(2S)-butan-2-yl]-3,15-bis(hydroxymethyl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone
AlkaPlorer ID: AK371192
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S)-6,9-dibenzyl-12-[(2S)-butan-2-yl]-3,15-bis(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CO)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C32H42N6O8/c1-3-19(2)27-32(46)36-23(15-21-12-8-5-9-13-21)29(43)35-22(14-20-10-6-4-7-11-20)30(44)37-24(17-39)28(42)33-16-26(41)34-25(18-40)31(45)38-27/h4-13,19,22-25,27,39-40H,3,14-18H2,1-2H3,(H,33,42)(H,34,41)(H,35,43)(H,36,46)(H,37,44)(H,38,45)/t19-,22-,23-,24-,25-,27-/m0/s1
InChIKey: DUXWLONYIPUPOW-BSGMKUPESA-N
Reference
Two New Cyclopeptides from <i>Arenaria oreophila</i> (Caryophyllaceae)
PubChem CID: 12968605
LOTUS: LTS0042827
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arenaria oreophila | Arenaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.7220000000001
TPSA？: 236.0
MolLogP？: 3.098100000000004
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|