(Q105346880)

English

(4R,7R)-N-[(1S)-2-hydroxy-4-isopropyl-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 C₃₂H₄₁N₅O₅

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Statements

instance of

group of stereoisomers

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1 reference

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

575.310769412 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₄₁N₅O₅

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canonical SMILES

CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12

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isomeric SMILES

CC(C)CC1C(=O)N2CCC[C@H]2C2(O)OC(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12

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Identifiers

InChI

InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25?,26+,31?,32?/m1/s1

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InChIKey

YDOTUXAWKBPQJW-DWGRIDTNSA-N

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PubChem CID

441288

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YDOTUXAWKBPQJW-DWGRIDTNSA-N

1 reference

(Q105346880)

(4R,7R)-N-[(1S)-2-hydroxy-4-isopropyl-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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