(Q105135321)

English

JUMRPZWQCPFMBE-JVLMLHMMSA-N

group of stereoisomers with the chemical formula C₅₉H₅₂N₁₄O₁₃S₆

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Statements

group of stereoisomers

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thiazole alkaloid

1 reference

thiazole alkaloid

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,356.216253724 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₉H₅₂N₁₄O₁₃S₆

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canonical SMILES

C=C(NC(=O)C(=C)NC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C(C(C)C(O)CO)NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2csc(n2)C(C(O)c2ccccc2)NC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc-3n2)n1)C(=O)O

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isomeric SMILES

C=C(NC(=O)C(=C)NC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)[C@H]([C@@H](C)C(O)CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2csc(n2)[C@H]([C@H](O)c2ccccc2)NC(=O)c2nc(sc2C)[C@H](CC(N)=O)NC(=O)c2csc-3n2)n1)C(=O)O

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1 reference

Ribosomally synthesized thiopeptide antibiotics targeting elongation factor Tu.

Identifiers

InChI=1S/C59H52N14O13S6/c1-24(40(76)18-74)42-57-70-39(23-91-57)55-66-35(19-88-55)44-31(14-15-32(63-44)54-68-36(21-89-54)49(81)61-25(2)47(79)62-26(3)59(85)86)53-67-37(20-87-53)51(83)65-34(17-41(60)77)56-73-43(27(4)92-56)52(84)72-45(46(78)29-8-6-5-7-9-29)58-69-38(22-90-58)50(82)64-33(48(80)71-42)16-28-10-12-30(75)13-11-28/h5-15,19-24,33-34,40,42,45-46,74-76,78H,2-3,16-18H2,1,4H3,(H2,60,77)(H,61,81)(H,62,79)(H,64,82)(H,65,83)(H,71,80)(H,72,84)(H,85,86)/t24-,33-,34-,40?,42-,45-,46+/m0/s1

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JUMRPZWQCPFMBE-JVLMLHMMSA-N

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1 reference

15 September 2022

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15 September 2022

Natural Product Atlas ID

1 reference

based on heuristic

inferred from InChIKey

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