tert-butyl 4-(benzo[d]thiazol-5-ylamino)-7-((S)-16-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoyl)pyrrolidine-1-carbonyl)-17,17-dimethyl-14-oxo-3,6,9,12-tetraoxa-15-azaoctadecyloxy)quinoline-6-sulfonate

ID: ALA4205154

Chembl Id: CHEMBL4205154

PubChem CID: 145977092

Max Phase: Preclinical

Molecular Formula: C52H65N7O12S3

Molecular Weight: 1076.33

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)OC(C)(C)C)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C52H65N7O12S3/c1-33-47(73-31-55-33)35-10-8-34(9-11-35)28-54-49(62)42-25-37(60)29-59(42)50(63)48(51(2,3)4)58-46(61)30-69-21-20-67-17-16-66-18-19-68-22-23-70-43-27-40-38(26-45(43)74(64,65)71-52(5,6)7)39(14-15-53-40)57-36-12-13-44-41(24-36)56-32-72-44/h8-15,24,26-27,31-32,37,42,48,60H,16-23,25,28-30H2,1-7H3,(H,53,57)(H,54,62)(H,58,61)/t37-,42+,48-/m1/s1

Standard InChI Key:  IFGBSBMZIKNMRJ-GPPJZCFZSA-N

Alternative Forms

1. Parent:

   

   ALA4205154

   ---

Molecule Features

Natural Product: No

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: 1076.33

Molecular Weight (Monoisotopic): 1075.3853

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References

1.  (2016)  7  (12): [10.1039/C6MD00347H]

Source

Source(1):

• Scientific Literature