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Micropeptin MZ845

AlkaPlorer ID: AK066763

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-hydroxy-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]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](CCCNC(=N)N)N=C(O)[C@@H](N=C(O)[C@H](O)CO)[C@@H](C)OC1=O

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InChI: InChI=1S/C40H63N9O11/c1-7-21(3)30-39(59)60-23(5)31(47-35(55)28(51)20-50)36(56)44-25(15-12-18-43-40(41)42)33(53)45-26-16-17-29(52)49(37(26)57)32(22(4)8-2)38(58)48(6)27(34(54)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50-52H,7-8,12,15-20H2,1-6H3,(H,44,56)(H,45,53)(H,46,54)(H,47,55)(H4,41,42,43)/t21-,22-,23+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1

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InChIKey: TZLKEKWUQRMTBV-LKAQEJCWSA-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: 845.996

TPSA？: 319.87

MolLogP？: 1.3198700000000103

Number of H-Donors: 10

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 Activity nan None 10.1021/np900546u
None Unchecked Activity nan None 10.1021/np900546u
None Unchecked IC50 2600.0 nM 10.1021/np900546u

Metabolism Information