(Q105110758)

English

(4R)-N-[(1S,4R)-4-isopropyl-2-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

group of stereoisomers with the chemical formula C₃₃H₄₃N₅O₅

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instance of

group of stereoisomers

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1 reference

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

589.3264194760001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₄₃N₅O₅

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canonical SMILES

COC12OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N1C(CC(C)C)C(=O)N1CCCC12

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isomeric SMILES

COC12O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N1C(CC(C)C)C(=O)N1CCC[C@H]12

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Identifiers

InChI

InChI=1S/C33H43N5O5/c1-18(2)13-26-30(40)37-12-8-11-27(37)33(42-6)38(26)31(41)32(43-33,19(3)4)35-29(39)21-14-23-22-9-7-10-24-28(22)20(16-34-24)15-25(23)36(5)17-21/h7,9-10,14,16,18-19,21,25-27,34H,8,11-13,15,17H2,1-6H3,(H,35,39)/t21-,25?,26?,27+,32-,33?/m1/s1

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InChIKey

IBKONBFVCDMGDA-DXUKNJOYSA-N

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PubChem CID

5319636

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IBKONBFVCDMGDA-DXUKNJOYSA-N

1 reference

(Q105110758)

(4R)-N-[(1S,4R)-4-isopropyl-2-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

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