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

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-12(2)10-15(20-17(21)16(19)13(3)4)18(22)23-11-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11,19H2,1-4H3,(H,20,21)/t15-,16+/m0/s1