(3S,6S,9S,12S,15S)-6,9-dibenzyl-12-[(2S)-4-hydroxybutan-2-yl]-15-(hydroxymethyl)-3-methyl-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone
AlkaPlorer ID: AK040559
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S)-6,9-dibenzyl-12-[(2S)-4-hydroxybutan-2-yl]-15-(hydroxymethyl)-3-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: C[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]([C@@H](C)CCO)N=C(O)[C@H](CO)N=C(O)CN=C1O
InChI: InChI=1S/C32H42N6O8/c1-19(13-14-39)27-32(46)37-24(16-22-11-7-4-8-12-22)30(44)36-23(15-21-9-5-3-6-10-21)29(43)34-20(2)28(42)33-17-26(41)35-25(18-40)31(45)38-27/h3-12,19-20,23-25,27,39-40H,13-18H2,1-2H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,37,46)(H,38,45)/t19-,20-,23-,24-,25-,27-/m0/s1
InChIKey: ZHSYALRVBJDBNY-GFRGYEAHSA-N
Reference
Cyclopeptides from Stellaria yunnanensis
PubChem CID: 101682232
LOTUS: LTS0021088
SuperNatural Ⅲ: SN0470702-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stellaria yunnanensis | Stellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.7220000000001
TPSA？: 236.0
MolLogP？: 3.0981000000000005
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|