(phenylmethyl) 2-[[2-(hexanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2-(hexanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl 2-[[2-(hexanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[3-methyl-1-oxo-2-(1-oxohexylamino)butyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(caproylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H36N2O4/c1-6-7-9-14-19(26)24-20(16(2)3)22(27)25-21(17(4)5)23(28)29-15-18-12-10-8-11-13-18/h8,10-13,16-17,20-21H,6-7,9,14-15H2,1-5H3,(H,24,26)(H,25,27)