pentan-3-yl 7-methyl-5-[2-(4-methyl-2-oxidanylidene-piperazin-1-yl)butanoylamino]-4-oxidanylidene-octanoate

Systemtic Name: pentan-3-yl 7-methyl-5-[2-(4-methyl-2-oxidanylidene-piperazin-1-yl)butanoylamino]-4-oxidanylidene-octanoate Openeye Name: 1-ethylpropyl 7-methyl-5-[2-(4-methyl-2-oxo-piperazin-1-yl)butanoylamino]-4-oxo-octanoate CAS Name: 7-methyl-5-[[2-(4-methyl-2-oxo-1-piperazinyl)-1-oxobutyl]amino]-4-oxooctanoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 7-methyl-5-[2-(4-methyl-2-oxopiperazin-1-yl)butanoylamino]-4-oxooctanoate Traditional Name: 4-keto-5-[2-(2-keto-4-methyl-piperazino)butanoylamino]-7-methyl-caprylic acid 1-ethylpropyl ester Formula: C23H41N3O5 MolecularWeight: 439.58874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)CCC(=O)C(CC(C)C)NC(=O)C(CC)N1CCN(CC1=O)C

Isomeric SMILES

CCC(CC)OC(=O)CCC(=O)C(CC(C)C)NC(=O)C(CC)N1CCN(CC1=O)C

InChI

InChI=1S/C23H41N3O5/c1-7-17(8-2)31-22(29)11-10-20(27)18(14-16(4)5)24-23(30)19(9-3)26-13-12-25(6)15-21(26)28/h16-19H,7-15H2,1-6H3,(H,24,30)