Muraymycin B9

ID: ALA4279378

Chembl Id: CHEMBL4279378

PubChem CID: 145982327

Max Phase: Preclinical

Molecular Formula: C52H89N11O18

Molecular Weight: 1156.34

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CO[C@H]1[C@H](O[C@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)[C@@H](OC(=O)CCCCCCCCCCC(C)C)C(C)C)C(=O)O)O[C@H](CN)[C@H]1O

Standard InChI:  InChI=1S/C52H89N11O18/c1-26(2)17-14-12-10-8-9-11-13-15-18-32(65)79-40(28(5)6)35(60-45(70)34(29-19-23-57-50(54)58-29)62-51(75)61-33(27(3)4)47(71)72)44(69)56-22-16-21-55-36(48(73)74)41(81-49-43(77-7)37(66)30(25-53)78-49)42-38(67)39(68)46(80-42)63-24-20-31(64)59-52(63)76/h20,24,26-30,33-43,46,49,55,66-68H,8-19,21-23,25,53H2,1-7H3,(H,56,69)(H,60,70)(H,71,72)(H,73,74)(H3,54,57,58)(H,59,64,76)(H2,61,62,75)/t29-,30+,33-,34-,35-,36-,37+,38-,39+,40-,41-,42-,43+,46+,49-/m0/s1

Standard InChI Key:  KKRVPASDNIOSCS-JBYXADMUSA-N

Alternative Forms

1. Parent:

   

   ALA4279378

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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: 1156.34

Molecular Weight (Monoisotopic): 1155.6387

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References

1. Cui Z, Wang X, Koppermann S, Thorson JS, Ducho C, Van Lanen SG..  (2018)  Antibacterial Muraymycins from Mutant Strains of Streptomyces sp. NRRL 30471.,  81  (4): [PMID:29553733] [10.1021/acs.jnatprod.7b01054]

Source

Source(1):

• Scientific Literature