Molecule

Pullularin F

AlkaPlorer ID: AK009520

Synonym: None

IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-[[(2S)-1-(2-hydroxy-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]-methylamino]-3-methylpentanoyl]amino]-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid

Structure

SMILES: CC[C@H](C)[C@@H](C(O)=N[C@@H](CC1=CC=C(OCC=C(C)C)C=C1)C(=O)O)N(C)C(=O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)C(O)CC1=CC=CC=C1

InChI: InChI=1S/C38H52N4O9/c1-6-25(4)33(35(46)39-29(38(49)50)21-27-14-16-28(17-15-27)51-20-18-24(2)3)41(5)36(47)30(23-43)40-34(45)31-13-10-19-42(31)37(48)32(44)22-26-11-8-7-9-12-26/h7-9,11-12,14-18,25,29-33,43-44H,6,10,13,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,49,50)/t25-,29-,30-,31-,32?,33-/m0/s1

InChIKey: HGRKCBGERCWAPT-AJLYFVEGSA-N

Reference

Pullularins E and F, Two New Peptides from the Endophytic Fungus Bionectria ochroleuca Isolated from the Mangrove Plant Sonneratia caseolaris

PubChem CID: 139583147

LOTUS: LTS0020363

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NPAtlas: NPA000226

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sonneratia caseolaris	Sonneratia	Lythraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 708.853

TPSA？: 192.79

MolLogP？: 3.768900000000005

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi