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Micropeptin MZ859

AlkaPlorer ID: AK048202

Synonym: None

IUPAC Name: (2R)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-15-[3-(diaminomethylideneamino)propyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2,3-dihydroxypropanamide

Structure

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

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InChI: InChI=1S/C41H65N9O11/c1-8-22(3)31-40(59)61-24(5)32(48-36(55)29(52)21-51)37(56)45-26(16-13-19-44-41(42)43)34(53)46-27-17-18-30(60-7)50(38(27)57)33(23(4)9-2)39(58)49(6)28(35(54)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33,51-52H,8-9,13,16-21H2,1-7H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)/t22-,23-,24+,26-,27-,28-,29+,30+,31-,32-,33-/m0/s1

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InChIKey: FFTCTTXTQUKETH-WLQPTDKLSA-N

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Source

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

Properties Information

Molecule Weight: 860.0229999999999

TPSA？: 297.41

MolLogP？: -1.596899999999999

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Elastase 1 Activity nan None 10.1021/np900546u
Homo sapiens Thrombin IC50 52900.0 nM 10.1021/np900546u
None Unchecked Activity nan None 10.1021/np900546u
None Unchecked IC50 600.0 nM 10.1021/np900546u

Metabolism Information