1-{3-[(6S,9S,12S,15S,18S,23aS)-12,18-dibenzyl-6-[(2S)-butan-2-yl]-9-(hydroxymethyl)-1,4,7,10,13,16,19-heptaoxo-hexadecahydropyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-15-yl]propyl}guanidine
AlkaPlorer ID: AK050830
Synonym: None
IUPAC Name: 2-[3-[(3S,6S,9S,12S,15S,21S)-3,9-dibenzyl-15-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-6-yl]propyl]guanidine
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CO)N=C1O
InChI: InChI=1S/C40H56N10O8/c1-3-24(2)33-38(57)48-30(23-51)36(55)46-28(20-25-12-6-4-7-13-25)35(54)45-27(16-10-18-43-40(41)42)34(53)47-29(21-26-14-8-5-9-15-26)39(58)50-19-11-17-31(50)37(56)44-22-32(52)49-33/h4-9,12-15,24,27-31,33,51H,3,10-11,16-23H2,1-2H3,(H,44,56)(H,45,54)(H,46,55)(H,47,53)(H,48,57)(H,49,52)(H4,41,42,43)/t24-,27-,28-,29-,30-,31-,33-/m0/s1
InChIKey: LCGLILGGULDOIK-YHAIKQLXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stellaria yunnanensis | Stellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 804.95
TPSA？: 297.98
MolLogP？: 3.360070000000007
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|