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

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methyl-1-oxopropyl)amino]-1-oxobutyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(isobutyrylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-13(2)17(22-19(24)15(5)6)20(25)23-18(14(3)4)21(26)27-12-16-10-8-7-9-11-16/h7-11,13-15,17-18H,12H2,1-6H3,(H,22,24)(H,23,25)/t17-,18-/m0/s1