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

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O4/c1-18(2)23(27-22(29)16-15-20-11-7-5-8-12-20)25(30)28-24(19(3)4)26(31)32-17-21-13-9-6-10-14-21/h5-14,18-19,23-24H,15-17H2,1-4H3,(H,27,29)(H,28,30)/t23-,24-/m0/s1