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

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S,3R)-2-azanyl-3-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S,3R)-2-amino-3-benzyloxy-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S,3R)-2-amino-1-oxo-3-phenylmethoxybutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S,3R)-2-amino-3-phenylmethoxybutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,3R)-2-amino-3-benzoxy-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C(C)OCC2=CC=CC=C2)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OCC1=CC=CC=C1)N)OCC2=CC=CC=C2

InChI

InChI=1S/C24H32N2O4/c1-17(2)14-21(24(28)30-16-20-12-8-5-9-13-20)26-23(27)22(25)18(3)29-15-19-10-6-4-7-11-19/h4-13,17-18,21-22H,14-16,25H2,1-3H3,(H,26,27)/t18-,21+,22+/m1/s1