methyl 2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]hexanoate

Systemtic Name: methyl 2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]hexanoate Openeye Name: methyl 2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]hexanoate CAS Name: 2-[[4-methyl-1-oxo-2-(1-oxooctylamino)pentyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]hexanoate Traditional Name: 2-[[2-(caprylylamino)-4-methyl-pentanoyl]amino]hexanoic acid methyl ester Formula: C21H40N2O4 MolecularWeight: 384.5533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)OC

InChI

InChI=1S/C21H40N2O4/c1-6-8-10-11-12-14-19(24)22-18(15-16(3)4)20(25)23-17(13-9-7-2)21(26)27-5/h16-18H,6-15H2,1-5H3,(H,22,24)(H,23,25)