6-[(1H-indol-3-yl)methyl]-3,12-dimethyl-18,21-bis(2-methylpropyl)-9-(propan-2-yl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
AlkaPlorer ID: AK318341
Synonym: None
IUPAC Name: (3S,6S,9S,12S,18S,21S)-6-(1H-indol-3-ylmethyl)-3,12-dimethyl-18,21-bis(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16,19,22,25-nonazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)CN=C(O)CN=C(O)[C@H](C)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C40H60N10O9/c1-20(2)13-28-37(56)44-19-32(52)45-24(8)36(55)50-34(22(5)6)40(59)49-30(15-25-16-41-27-12-10-9-11-26(25)27)38(57)46-23(7)35(54)43-17-31(51)42-18-33(53)47-29(14-21(3)4)39(58)48-28/h9-12,16,20-24,28-30,34,41H,13-15,17-19H2,1-8H3,(H,42,51)(H,43,54)(H,44,56)(H,45,52)(H,46,57)(H,47,53)(H,48,58)(H,49,59)(H,50,55)/t23-,24-,28-,29-,30-,34-/m0/s1
InChIKey: OCSBKZBRSRUKQL-VTSUPZHBSA-N
Reference
Podacycline A and B, two cyclic peptides in the latex of Jatropha podagrica
PubChem CID: 15280590
LOTUS: LTS0255172
NPASS: NPC106281
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Artocarpus gomezianus | Artocarpus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 824.9809999999999
TPSA？: 309.1
MolLogP？: 6.332100000000007
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|