Muraymycin B8

ID: ALA4283345

Chembl Id: CHEMBL4283345

PubChem CID: 145981596

Max Phase: Preclinical

Molecular Formula: C54H93N11O18

Molecular Weight: 1184.40

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)CCCCCCCCCCCCC(C)C)C(C)C)C(=O)O)O[C@H](CN)[C@H]1O

Standard InChI:  InChI=1S/C54H93N11O18/c1-28(2)19-16-14-12-10-8-9-11-13-15-17-20-34(67)81-42(30(5)6)37(62-47(72)36(31-21-25-59-52(56)60-31)64-53(77)63-35(29(3)4)49(73)74)46(71)58-24-18-23-57-38(50(75)76)43(83-51-45(79-7)39(68)32(27-55)80-51)44-40(69)41(70)48(82-44)65-26-22-33(66)61-54(65)78/h22,26,28-32,35-45,48,51,57,68-70H,8-21,23-25,27,55H2,1-7H3,(H,58,71)(H,62,72)(H,73,74)(H,75,76)(H3,56,59,60)(H,61,66,78)(H2,63,64,77)/t31-,32+,35-,36-,37-,38-,39+,40-,41+,42-,43-,44-,45+,48+,51-/m0/s1

Standard InChI Key:  INQKTUSDVJJZDY-BBHJCMPKSA-N

Alternative Forms

1. Parent:

   

   ALA4283345

   ---

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: 1184.40

Molecular Weight (Monoisotopic): 1183.6700

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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