(Q104199739)

English

VRYFRHOXPARBLS-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₈₄H₁₀₄N₁₈O₂₆S₅

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Statements

group of stereoisomers

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thiazole alkaloid

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thiazole alkaloid

biogenic cyclopeptide

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biogenic cyclopeptide

1,940.597270448 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₈₄H₁₀₄N₁₈O₂₆S₅

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canonical SMILES

C=C1NC(=O)C(=C)NC(=O)C(C(C)OC2CC(OC3CC(O)C(O)C(C)O3)C(O)C(C)O2)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(C(C)(O)CC)NC(=O)C3CSC(=N3)C(=CC)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC4C(SC)=NC(CO)(C(=O)NC(=C)C(=O)NC(=C)C(=O)OC)N4C3c3csc2n3)NC(=O)C(=C)NC1=O

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Micromonospora carbonacea

1 reference

Sch 40832: a novel thiostrepton from Micromonospora carbonacea

Identifiers

InChI=1S/C84H104N18O26S5/c1-17-44-74-94-49(27-130-74)71(116)99-63(82(14,122)18-2)77-95-48(28-132-77)69(114)98-58-39(11)127-79(120)46-23-43(36(8)104)42-19-20-45(62(109)59(42)91-46)90-57(38(10)124-55-25-53(61(108)41(13)126-55)128-54-24-52(106)60(107)40(12)125-54)73(118)87-32(4)66(111)85-31(3)65(110)86-34(6)68(113)100-83(81-96-50(29-133-81)70(115)97-56(37(9)105)72(117)92-44)22-21-51-75(129-16)101-84(30-103,102(51)64(83)47-26-131-76(58)93-47)80(121)89-33(5)67(112)88-35(7)78(119)123-15/h17,19-20,23,26,28-29,36-41,45,49,51-58,60-64,90,103-109,122H,3-7,18,21-22,24-25,27,30H2,1-2,8-16H3,(H,85,111)(H,86,110)(H,87,118)(H,88,112)(H,89,121)(H,92,117)(H,97,115)(H,98,114)(H,99,116)(H,100,113)

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VRYFRHOXPARBLS-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

VRYFRHOXPARBLS-UHFFFAOYSA-N

2 references

15 September 2022

matched by identifier from

VRYFRHOXPARBLS-UHFFFAOYSA-N

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