Thioalbamide

ID: ALA5266691

Chembl Id: CHEMBL5266691

Max Phase: Preclinical

Molecular Formula: C61H97N14O11S4+

Molecular Weight: 1330.80

Names and Identifiers

Canonical SMILES:  CCC(C)[C@H](NC(=S)[C@@H](NC(=O)C(C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1O)C(=S)N[C@@H](C)C(=S)N[C@H](C(=O)N[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cn(C)c[n+]2C)C(=O)N/C=C\SC1C)C(C)C

Standard InChI:  InChI=1S/C61H96N14O11S4/c1-17-33(9)48(73-61(89)47(32(7)8)69-52(80)37(13)76)54(82)63-27-44(78)66-42(25-39-21-19-20-22-43(39)77)60(88)65-36(12)59(87)72-46(31(5)6)56(84)71-50-38(14)90-24-23-62-53(81)41(26-40-28-74(15)29-75(40)16)67-55(83)45(30(3)4)68-51(79)35(11)64-57(85)49(34(10)18-2)70-58(50)86/h19-24,28-38,41-42,45-50,76H,17-18,25-27H2,1-16H3,(H12-,62,63,64,65,66,67,68,69,70,71,72,73,77,78,79,80,81,82,83,84,85,86,87,88,89)/p+1/b24-23-/t33?,34-,35-,36-,37?,38?,41-,42-,45-,46-,47-,48-,49-,50+/m0/s1

Standard InChI Key:  OYDVQENXJWICBU-CQALZBLNSA-O

Alternative Forms

1. Parent:

   

   ALA5266691

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1330.80

Molecular Weight (Monoisotopic): 1329.6339

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References

1. Patel BA, D'Amico TL, Blagg BSJ..  (2020)  Natural products and other inhibitors of F₁F_O ATP synthase.,  207  [PMID:32942072] [10.1016/j.ejmech.2020.112779]

Source

Source(1):

• Scientific Literature