(3S,6S,9S,15S,18S)-3,18-dibenzyl-6-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-15-methyl-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone
AlkaPlorer ID: AK157348
Synonym: None
IUPAC Name: (3S,6S,9S,15S,18S)-3,18-dibenzyl-6-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-15-methyl-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]([C@@H](C)O)N=C(O)CN=C(O)[C@H](C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C35H47N7O8/c1-5-20(2)29-34(49)40-25(16-23-12-8-6-9-13-23)32(47)37-18-27(44)39-26(17-24-14-10-7-11-15-24)33(48)38-21(3)31(46)36-19-28(45)41-30(22(4)43)35(50)42-29/h6-15,20-22,25-26,29-30,43H,5,16-19H2,1-4H3,(H,36,46)(H,37,47)(H,38,48)(H,39,44)(H,40,49)(H,41,45)(H,42,50)/t20-,21-,22+,25-,26-,29-,30-/m0/s1
InChIKey: IDSMYSNPUPLUKL-FYVBOTIOSA-N
Reference
Podacycline A and B, two cyclic peptides in the latex of Jatropha podagrica
PubChem CID: 15280591
LOTUS: LTS0174503
SuperNatural Ⅲ: SN0142867-01
NPASS: NPC14128
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Artocarpus gomezianus | Artocarpus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 693.8020000000001
TPSA？: 248.36
MolLogP？: 4.4707000000000034
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|