(3S,6S,9S,12S,15S,18S)-15-benzyl-9-[(2S)-butan-2-yl]-3,18-bis[(1R)-1-hydroxyethyl]-6-methyl-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone
AlkaPlorer ID: AK103298
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S,18S)-15-benzyl-9-[(2S)-butan-2-yl]-3,18-bis[(1R)-1-hydroxyethyl]-6-methyl-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]([C@@H](C)O)N=C(O)CN=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](C)N=C1O
InChI: InChI=1S/C34H53N7O9/c1-8-18(4)26-33(49)36-19(5)29(45)41-27(20(6)42)32(48)35-16-25(44)39-28(21(7)43)34(50)38-24(15-22-12-10-9-11-13-22)30(46)37-23(14-17(2)3)31(47)40-26/h9-13,17-21,23-24,26-28,42-43H,8,14-16H2,1-7H3,(H,35,48)(H,36,49)(H,37,46)(H,38,50)(H,39,44)(H,40,47)(H,41,45)/t18-,19-,20+,21+,23-,24-,26-,27-,28-/m0/s1
InChIKey: LZVXYGLCVNPQDY-ITUDXDSCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus reticulata | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Citrus unshiu | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Citrus natsudaidai | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 703.8380000000002
TPSA？: 268.59
MolLogP？: 4.023500000000004
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|