cyanopeptolin SS

ID: ALA1076839

Chembl Id: CHEMBL1076839

Cas Number: 914606-74-9

PubChem CID: 46881046

Max Phase: Preclinical

Molecular Formula: C40H63N9O17S2

Molecular Weight: 1006.12

Molecule Type: Small molecule

Names and Identifiers

Synonyms: cyanopeptolin SS | cyanopeptolin SS|CHEMBL1076839|DTXSID201335446|BDBM50312534|914606-74-9

Canonical SMILES:  CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)[C@@H](C)OC1=O

Standard InChI:  InChI=1S/C40H63N9O17S2/c1-7-21(3)30-39(57)65-23(5)31(47-35(53)28(66-68(61,62)63)20-64-67(58,59)60)36(54)44-25(15-12-18-43-40(41)42)33(51)45-26-16-17-29(50)49(37(26)55)32(22(4)8-2)38(56)48(6)27(34(52)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50H,7-8,12,15-20H2,1-6H3,(H,44,54)(H,45,51)(H,46,52)(H,47,53)(H4,41,42,43)(H,58,59,60)(H,61,62,63)/t21-,22-,23+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1

Standard InChI Key:  KBCHLKMABDZVKD-LKAQEJCWSA-N

Alternative Forms

1. Parent:

   

   ALA1076839

   CYANOPEPTOLIN SS

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1006.12

Molecular Weight (Monoisotopic): 1005.3783

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References

1. Zafrir E, Carmeli S..  (2010)  Micropeptins from an Israeli fishpond water bloom of the cyanobacterium Microcystis sp.,  73  (3): [PMID:20028081] [10.1021/np900546u]

2. Adiv S, Carmeli S..  (2013)  Protease inhibitors from Microcystis aeruginosa bloom material collected from the Dalton Reservoir, Israel.,  76  (12): [PMID:24261937] [10.1021/np4006844]

Source

Source(1):

• Scientific Literature