(Q105287493)

English

7-Butan-2-yl-14-(4,4-dichloropentyl)-18-(2-hydroxypropan-2-yl)-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetrazatricyclo[17.2.1.18,11]tricosa-1(21),8(23),10,19(22)-tetraene-2,5,12,16-tetrone

group of stereoisomers with the chemical formula C₂₉H₄₀Cl₂N₄O₇S₂

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instance of

group of stereoisomers

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1 reference

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

690.17154698 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₀Cl₂N₄O₇S₂

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canonical SMILES

CCC(C)C1NC(=O)CNC(=O)c2csc(n2)C(C(C)(C)O)OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2

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Identifiers

InChI

InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)

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InChIKey

VJSNPXXBMRWPEJ-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VJSNPXXBMRWPEJ-UHFFFAOYSA-N

(Q105287493)

7-Butan-2-yl-14-(4,4-dichloropentyl)-18-(2-hydroxypropan-2-yl)-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetrazatricyclo[17.2.1.18,11]tricosa-1(21),8(23),10,19(22)-tetraene-2,5,12,16-tetrone

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