(Q103816873)

English

BNGCIRYZSMUYSN-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₃₁H₃₀N₆O₆S₄

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Statements

instance of

group of stereoisomers

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subclass of

chaetocin-like alkaloid

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inferred from

chaetocin-like alkaloid

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

710.1109666800003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₀N₆O₆S₄

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canonical SMILES

O=C1N(C)C2(SSC13N(C2=O)C4NC=5C=CC=CC5C4(C3O)C67C=8C=CC=CC8NC7N9C(=O)C%10(SSC9(C(=O)N%10C)C6O)CC)C

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Identifiers

InChI

InChI=1S/C31H30N6O6S4/c1-5-27-23(41)37-21-29(15-11-7-9-13-17(15)33-21,19(39)31(37,47-45-27)25(43)35(27)4)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(3)24(42)30(36,18(28)38)46-44-26/h6-13,18-21,32-33,38-39H,5H2,1-4H3

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InChIKey

BNGCIRYZSMUYSN-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

BNGCIRYZSMUYSN-UHFFFAOYSA-N

(Q103816873)

BNGCIRYZSMUYSN-UHFFFAOYSA-N

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Identifiers

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