(phenylmethyl) (2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-13(2)11-17(20(25)26-12-16-9-7-6-8-10-16)22-19(24)18(14(3)4)21-15(5)23/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,21,23)(H,22,24)/t17-,18-/m0/s1