(Q105285597)

English

Berninamycin B

chemical compound

In more languages

Statements

type of chemical entity

0 references

VFTYJPKNFPTPRA-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from SMILES

1,129.346062312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₅₁N₁₅O₁₄S

0 references

canonical SMILES

C=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1nc(oc1C)C(=C)NC(=O)C(C(C)C)NC(=O)C(=C)NC(=O)c1nc(oc1C)C(=CC)NC(=O)C(C(C)O)NC(=O)c1csc-2n1)C(N)=O

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isomeric SMILES

C=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1nc(oc1C)C(=C)NC(=O)[C@H](C(C)C)NC(=O)C(=C)NC(=O)c1nc(oc1C)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c1csc-2n1)C(N)=O

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Streptomyces bernensis

1 reference

Berninamycins B, C, and D, minor metabolites from Streptomyces bernensis

Identifiers

InChI=1S/C51H51N15O14S/c1-13-29-50-66-36(27(12)80-50)47(77)56-22(7)41(71)63-33(18(2)3)44(74)58-24(9)49-65-35(26(11)79-49)46(76)55-21(6)40(70)57-23(8)48-61-31(16-78-48)37-28(51-62-32(17-81-51)43(73)64-34(25(10)67)45(75)60-29)14-15-30(59-37)42(72)54-20(5)39(69)53-19(4)38(52)68/h13-18,25,33-34,67H,4-9H2,1-3,10-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,76)(H,56,77)(H,57,70)(H,58,74)(H,60,75)(H,63,71)(H,64,73)/b29-13-/t25-,33+,34+/m1/s1

0 references

VFTYJPKNFPTPRA-KFSKHFNISA-N

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1 reference

15 September 2022

1 reference

15 September 2022

UniChem compound ID

1 reference

Natural Product Atlas ID

1 reference

based on heuristic

inferred from InChIKey

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