(Q105343677)

English

Napsamycin A

group of stereoisomers with the chemical formula C₃₉H₄₈N₈O₁₂S

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Statements

instance of

group of stereoisomers

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subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

1 reference

852.311239976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₈N₈O₁₂S

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canonical SMILES

CSCCC(NC(=O)NC(Cc1cccc(O)c1)C(=O)O)C(=O)NC(C(=O)NC=C1CC(O)C(n2ccc(O)nc2=O)O1)C(C)N(C)C(=O)C1Cc2cc(O)ccc2CN1

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isomeric SMILES

CSCCC(NC(=O)NC(Cc1cccc(O)c1)C(=O)O)C(=O)NC(C(=O)N/C=C1\CC(O)C(n2ccc(O)nc2=O)O1)C(C)N(C)C(=O)C1Cc2cc(O)ccc2CN1

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces filamentosus

1 reference

stated in

Identification of novel mureidomycin analogues via rational activation of a cryptic gene cluster in Streptomyces roseosporus NRRL 15998.

Identifiers

InChI

InChI=1S/C39H48N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-9,11,13,15,19-20,27-30,32,36,40,48-50H,10,12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19+

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InChIKey

XWORGFMCZJWEQG-LGUFXXKBSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

XWORGFMCZJWEQG-LGUFXXKBSA-N

1 reference

(Q105343677)

Napsamycin A

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Identifiers

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