methyl 2-[[2-(8-bromanyloctanoylamino)-2-cyclohexyl-ethanoyl]amino]-3-(3H-pyrrol-5-yl)propanoate

Systemtic Name: methyl 2-[[2-(8-bromanyloctanoylamino)-2-cyclohexyl-ethanoyl]amino]-3-(3H-pyrrol-5-yl)propanoate Openeye Name: methyl 2-[[2-(8-bromooctanoylamino)-2-cyclohexyl-acetyl]amino]-3-(3H-pyrrol-5-yl)propanoate CAS Name: 2-[[2-[(8-bromo-1-oxooctyl)amino]-2-cyclohexyl-1-oxoethyl]amino]-3-(3H-pyrrol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(8-bromooctanoylamino)-2-cyclohexylacetyl]amino]-3-(3H-pyrrol-5-yl)propanoate Traditional Name: 2-[[2-(8-bromooctanoylamino)-2-cyclohexyl-acetyl]amino]-3-(3H-pyrrol-5-yl)propionic acid methyl ester Formula: C24H38BrN3O4 MolecularWeight: 512.48022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CCC=N1)NC(=O)C(C2CCCCC2)NC(=O)CCCCCCCBr

Isomeric SMILES

COC(=O)C(CC1=CCC=N1)NC(=O)C(C2CCCCC2)NC(=O)CCCCCCCBr

InChI

InChI=1S/C24H38BrN3O4/c1-32-24(31)20(17-19-13-10-16-26-19)27-23(30)22(18-11-6-5-7-12-18)28-21(29)14-8-3-2-4-9-15-25/h13,16,18,20,22H,2-12,14-15,17H2,1H3,(H,27,30)(H,28,29)