(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-5-oxo-pentanoyl]amino]-3-hydroxy-5-phenyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]-methyl-amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

ID: ALA5179569

Chembl Id: CHEMBL5179569

PubChem CID: 168272283

Max Phase: Preclinical

Molecular Formula: C54H74N8O12

Molecular Weight: 1027.23

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

Standard InChI:  InChI=1S/C54H74N8O12/c1-33(2)28-40(48(66)56-35(5)50(68)61(7)43(30-37-20-13-9-14-21-37)51(69)62-27-17-24-42(62)53(71)72)57-46(65)31-44(63)39(29-36-18-11-8-12-19-36)58-49(67)41(25-26-45(55)64)60(6)52(70)47(34(3)4)59-54(73)74-32-38-22-15-10-16-23-38/h8-16,18-23,33-35,39-44,47,63H,17,24-32H2,1-7H3,(H2,55,64)(H,56,66)(H,57,65)(H,58,67)(H,59,73)(H,71,72)/t35-,39-,40-,41-,42-,43+,44-,47-/m0/s1

Standard InChI Key:  MJVWIZCJQXORSJ-DHLYAETASA-N

Alternative Forms

1. Parent:

   

   ALA5179569

   ---

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: 1027.23

Molecular Weight (Monoisotopic): 1026.5426

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References

1. Li Z, Li H, Jiang F, Wang Z, Zhang W..  (2022)  Cathepsin D inhibitors based on tasiamide B derivatives with cell membrane permeability.,  57  [PMID:35121401] [10.1016/j.bmc.2022.116646]

Source

Source(1):

• Scientific Literature