(Q105289569)

English

Benzenepropanamide, alpha-(dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-13-(1-methylpropyl)-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]-

group of stereoisomers with the chemical formula C₃₆H₄₉N₅O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

631.373369668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₉N₅O₅

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canonical SMILES

CCC(C)C1NC(=O)C2C(CCN2C(=O)C(NC(=O)C(Cc2ccccc2)N(C)C)C(C)CC)Oc2ccc(cc2)C=CNC1=O

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isomeric SMILES

CCC(C)C1NC(=O)C2C(CCN2C(=O)C(NC(=O)C(Cc2ccccc2)N(C)C)C(C)CC)Oc2ccc(cc2)/C=C\NC1=O

1 reference

1 reference

Cyclic peptide and peptide alkaloids from seeds ofZizyphus vulgaris

Identifiers

InChI

InChI=1S/C36H49N5O5/c1-7-23(3)30-34(43)37-20-18-25-14-16-27(17-15-25)46-29-19-21-41(32(29)35(44)38-30)36(45)31(24(4)8-2)39-33(42)28(40(5)6)22-26-12-10-9-11-13-26/h9-18,20,23-24,28-32H,7-8,19,21-22H2,1-6H3,(H,37,43)(H,38,44)(H,39,42)/b20-18-

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InChIKey

VNEXXKFUERBRNG-ZZEZOPTASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VNEXXKFUERBRNG-ZZEZOPTASA-N

1 reference

(Q105289569)

Benzenepropanamide, alpha-(dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-13-(1-methylpropyl)-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]-

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Identifiers

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