Grassystatin F

ID: ALA4163078

Chembl Id: CHEMBL4163078

PubChem CID: 139589856

Max Phase: Preclinical

Molecular Formula: C59H91N9O13

Molecular Weight: 1134.43

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC

Standard InChI:  InChI=1S/C59H91N9O13/c1-14-37(6)51(54(74)61-38(7)55(75)67(12)46(32-40-22-17-15-18-23-40)57(77)68-29-21-26-45(68)58(78)80-13)64-50(71)34-48(69)42(30-35(2)3)62-53(73)44(27-28-49(60)70)66(11)56(76)43(31-36(4)5)63-52(72)39(8)81-59(79)47(65(9)10)33-41-24-19-16-20-25-41/h15-20,22-25,35-39,42-48,51,69H,14,21,26-34H2,1-13H3,(H2,60,70)(H,61,74)(H,62,73)(H,63,72)(H,64,71)/t37-,38-,39-,42-,43-,44-,45-,46+,47-,48-,51-/m0/s1

Standard InChI Key:  FVCUETVFTFPUEO-CHLGYZHBSA-N

Alternative Forms

1. Parent:

   

   ALA4163078

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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: 1134.43

Molecular Weight (Monoisotopic): 1133.6736

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References

1. Al-Awadhi FH, Law BK, Paul VJ, Luesch H..  (2017)  Grassystatins D-F, Potent Aspartic Protease Inhibitors from Marine Cyanobacteria as Potential Antimetastatic Agents Targeting Invasive Breast Cancer.,  80  (11): [PMID:29087712] [10.1021/acs.jnatprod.7b00551]

Source

Source(1):

• Scientific Literature