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

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[(2S)-3-methyl-2-(propanoylamino)butanoyl]amino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(propanoylamino)butanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-(1-oxopropylamino)butyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(propanoylamino)butanoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(2S)-3-methyl-2-propionamido-butanoyl]amino]butyric acid benzyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-6-16(23)21-17(13(2)3)19(24)22-18(14(4)5)20(25)26-12-15-10-8-7-9-11-15/h7-11,13-14,17-18H,6,12H2,1-5H3,(H,21,23)(H,22,24)/t17-,18-/m0/s1