(Q105300189)

English

WAFOSUDOWLQGBG-BBNSLQFSSA-N

group of stereoisomers with the chemical formula C₅₈H₉₁N₁₃O₂₀

In more languages

Statements

group of stereoisomers

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biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,289.650332312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₈H₉₁N₁₃O₂₀

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canonical SMILES

CCC(C)CCCCCC=CCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)N2CCCCC2C(=O)NC(C(C)C(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)N)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC1C

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isomeric SMILES

CCC(C)CCCCC/C=C\CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N2CCCCC2C(=O)NC([C@H](C)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](C(C)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCCC2C(=O)N[C@@H]1C

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1 reference

Molecular cloning and identification of the laspartomycin biosynthetic gene cluster from Streptomyces viridochromogenes

Identifiers

InChI=1S/C58H91N13O20/c1-8-30(4)18-13-11-9-10-12-14-21-39(72)63-36(26-44(79)80)51(83)69-48-33(7)62-52(84)38-20-17-23-71(38)56(88)45(29(2)3)67-55(87)47(32(6)59)66-41(74)28-61-49(81)34(24-42(75)76)64-40(73)27-60-50(82)35(25-43(77)78)65-54(86)46(31(5)58(90)91)68-53(85)37-19-15-16-22-70(37)57(48)89/h12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H,60,82)(H,61,81)(H,62,84)(H,63,72)(H,64,73)(H,65,86)(H,66,74)(H,67,87)(H,68,85)(H,69,83)(H,75,76)(H,77,78)(H,79,80)(H,90,91)/b14-12-/t30?,31-,32?,33+,34-,35-,36-,37?,38?,45-,46?,47+,48-/m0/s1

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WAFOSUDOWLQGBG-BBNSLQFSSA-N

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1 reference

15 September 2022

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