Tutuilamide A

ID: ALA5284383

Chembl Id: CHEMBL5284383

Max Phase: Preclinical

Molecular Formula: C51H69ClN8O12

Molecular Weight: 1021.61

Names and Identifiers

Canonical SMILES:  C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C/C(C)=C/Cl)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O

Standard InChI:  InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1

Standard InChI Key:  CWLDDHHTMAJFMM-LKVOOIPRSA-N

Alternative Forms

1. Parent:

   

   ALA5284383

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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: 1021.61

Molecular Weight (Monoisotopic): 1020.4723

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References

1. Chen QY, Luo D, Seabra GM, Luesch H..  (2020)  Ahp-Cyclodepsipeptides as tunable inhibitors of human neutrophil elastase and kallikrein 7: Total synthesis of tutuilamide A, serine protease selectivity profile and comparison with lyngbyastatin 7.,  28  (23.0): [PMID:33002682] [10.1016/j.bmc.2020.115756]

Source

Source(1):

• Scientific Literature