(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-phenylmethoxy-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-phenylmethoxy-propanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-amino-3-benzyloxy-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylmethoxypropyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-benzoxy-propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(COCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](COCC2=CC=CC=C2)N

InChI

InChI=1S/C23H30N2O4/c1-17(2)13-21(23(27)29-15-19-11-7-4-8-12-19)25-22(26)20(24)16-28-14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16,24H2,1-2H3,(H,25,26)/t20-,21-/m0/s1