1962-B
AlkaPlorer ID: AK066757
Synonym: None
IUPAC Name: (3R,9S,12S,18S)-9-benzyl-3,18-bis(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)C[C@@H]1OC(=O)[C@@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C(C)C)N=C(O)CN=C1O
InChI: InChI=1S/C30H45N5O7/c1-17(2)12-22-30(41)42-23(13-18(3)4)28(39)32-16-25(37)35-26(19(5)6)29(40)34-21(14-20-10-8-7-9-11-20)27(38)31-15-24(36)33-22/h7-11,17-19,21-23,26H,12-16H2,1-6H3,(H,31,38)(H,32,39)(H,33,36)(H,34,40)(H,35,37)/t21-,22+,23-,26-/m0/s1
InChIKey: BUYZWYKJFCKQNR-LNEBKTTKSA-N
Reference
Cyclic Peptides from an Endophytic Fungus Obtained from a Mangrove Leaf (<i>Kandelia candel</i>)
PubChem CID: 24178775
LOTUS: LTS0108290
SuperNatural Ⅲ: SN0036185-03
{NPAtlas: NPA011066
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kandelia candel | Kandelia | Rhizophoraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 587.7180000000002
TPSA？: 189.25
MolLogP？: 4.791000000000003
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|