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

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(isovalerylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-14(2)12-18(25)23-19(15(3)4)21(26)24-20(16(5)6)22(27)28-13-17-10-8-7-9-11-17/h7-11,14-16,19-20H,12-13H2,1-6H3,(H,23,25)(H,24,26)/t19-,20-/m0/s1