(2S,3R)-2-[3-((R)-2-Amino-4-phenyl-butyrylamino)-propylamino]-3-{(R)-3,4-bis-(tert-butyl-dimethyl-silanyloxy)-5-[3-(4-methoxy-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-2-yl}-3-hydroxy-propionic acid tert-butyl ester

ID: ALA325306

PubChem CID: 44341629

Max Phase: Preclinical

Molecular Formula: C48H77N5O10Si2

Molecular Weight: 940.34

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1

Standard InChI:  InChI=1S/C48H77N5O10Si2/c1-46(2,3)61-44(57)37(50-28-18-29-51-42(56)35(49)26-23-32-19-16-15-17-20-32)38(55)39-40(62-64(11,12)47(4,5)6)41(63-65(13,14)48(7,8)9)43(60-39)52-30-27-36(54)53(45(52)58)31-33-21-24-34(59-10)25-22-33/h15-17,19-22,24-25,27,30,35,37-41,43,50,55H,18,23,26,28-29,31,49H2,1-14H3,(H,51,56)/t35-,37+,38-,39?,40-,41-,43-/m1/s1

Standard InChI Key:  JQUIKJFGIQVNCW-SIEOZILJSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA325306

   tert-butyl (2S,3R)-2-[3-[[(2R)-2-amino-4-phenylbutanoyl]amino]propylamino]-3-[(3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]-3-hydroxypropanoate

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: 940.34

Molecular Weight (Monoisotopic): 939.5209

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Np Likeness Score: ┄

References

1. Yamashita A, Norton E, Petersen PJ, Rasmussen BA, Singh G, Yang Y, Mansour TS, Ho DM..  (2003)  Muraymycins, novel peptidoglycan biosynthesis inhibitors: synthesis and SAR of their analogues.,  13  (19): [PMID:12951123] [10.1016/s0960-894x(03)00671-1]

Source

Source(1):

• Scientific Literature