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Ichthyopeptin B

AlkaPlorer ID: AK063103

Synonym: None

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

Structure

SMILES: CC[C@H](C)[C@H]1C(=O)N(C)C(CC2=CC=CC=C2)C(O)=N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)C(O)CC2=CC=C(O)C=C2)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H]2CC[C@@H](O)N1C2=O

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InChI: InChI=1S/C49H70N8O13/c1-9-27(6)41-48(68)56(8)35(22-29-13-11-10-12-14-29)44(64)54-39(26(4)5)49(69)70-28(7)40(46(66)53-33(21-25(2)3)42(62)51-32-19-20-38(61)57(41)47(32)67)55-43(63)34(24-37(50)60)52-45(65)36(59)23-30-15-17-31(58)18-16-30/h10-18,25-28,32-36,38-41,58-59,61H,9,19-24H2,1-8H3,(H2,50,60)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,63)/t27-,28+,32-,33-,34-,35?,36?,38+,39-,40-,41-/m0/s1

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InChIKey: ISXVVVPYLBADKW-BTUXARFWSA-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: 979.142

TPSA？: 334.64000000000004

MolLogP？: 4.9190700000000085

Number of H-Donors: 10

Number of H-Acceptors: 13

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information