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Ichthyopeptin A

AlkaPlorer ID: AK065266

Synonym: '', 'Ichthyopeptin A'

IUPAC Name: (2S)-N-[(2S,5R,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide

Structure

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

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InChI: InChI=1S/C53H70N8O14/c1-7-29(4)43-53(74)75-30(5)44(59-46(67)36(21-23-41(54)65)55-49(70)40(64)27-33-15-19-35(63)20-16-33)50(71)57-38(25-32-13-17-34(62)18-14-32)47(68)56-37-22-24-42(66)61(51(37)72)45(28(2)3)52(73)60(6)39(48(69)58-43)26-31-11-9-8-10-12-31/h8-20,28-30,36-40,42-45,62-64,66H,7,21-27H2,1-6H3,(H2,54,65)(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,67)/t29-,30+,36-,37-,38-,39+,40+,42+,43-,44-,45-/m0/s1

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InChIKey: HUXQLCBYRTWEFS-SVLTVPPNSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Microcystis ichthyoblabe Microcystis Microcystaceae Chroococcales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 1043.1850000000002

TPSA？: 354.87

MolLogP？: 5.211370000000007

Number of H-Donors: 11

Number of H-Acceptors: 14

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information