Molecule

Oscillapeptin E

AlkaPlorer ID: AK000795

Synonym: '21-24', 'Cyanopeptolin 1138', 'Oscillapeptin E'

IUPAC Name: [(2R)-3-[[(2R)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-21-hydroxy-15-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-2-methoxy-3-oxopropyl] hydrogen sulfate

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)N=C(O)[C@H](CCC2=CC=C(O)C=C2)N=C(O)[C@@H](N=C(O)[C@@H](CCC2=CC=C(O)C=C2)N=C(O)[C@@H](COS(=O)(=O)O)OC)[C@@H](C)OC1=O

InChI: InChI=1S/C55H75N7O17S/c1-8-31(3)45-55(73)79-33(5)46(60-49(67)40(26-20-35-17-23-38(64)24-18-35)56-51(69)43(77-7)30-78-80(74,75)76)52(70)57-39(25-19-34-15-21-37(63)22-16-34)48(66)58-41-27-28-44(65)62(53(41)71)47(32(4)9-2)54(72)61(6)42(50(68)59-45)29-36-13-11-10-12-14-36/h10-18,21-24,31-33,39-47,63-65H,8-9,19-20,25-30H2,1-7H3,(H,56,69)(H,57,70)(H,58,66)(H,59,68)(H,60,67)(H,74,75,76)/t31-,32-,33+,39-,40+,41-,42-,43+,44+,45-,46-,47-/m0/s1

InChIKey: IPSPUQFSLMOERD-ANWWLRMESA-N

Reference

Oscillapeptins A to F, serine protease inhibitors from the three strains of Oscillatoria agardhii

PubChem CID: 10701454

LOTUS: LTS0073953

SuperNatural Ⅲ: SN0151977-06

NPASS: NPC289980

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Elsholtzia bodinieri	Elsholtzia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ambrosia cordifolia	Ambrosia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Romalea microptera	Romalea	Romaleidae	Orthoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Desmanthus illinoensis	Desmanthus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sistotrema raduloides	Sistotrema	Corticiaceae	Corticiales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Narcissus serotinus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pterocarpus angolensis	Pterocarpus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Croton hieronymi	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ipomoea purpurea	Ipomoea	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Monomorium fieldi	Monomorium	Formicidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 1138.304

TPSA？: 363.39

MolLogP？: 5.539700000000006

Number of H-Donors: 9

Number of H-Acceptors: 16

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi