(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-(4-benzyloxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-(4-benzoxyphenyl)propionic acid benzyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C29H34N2O4/c1-21(2)17-26(30)28(32)31-27(29(33)35-20-24-11-7-4-8-12-24)18-22-13-15-25(16-14-22)34-19-23-9-5-3-6-10-23/h3-16,21,26-27H,17-20,30H2,1-2H3,(H,31,32)/t26-,27-/m0/s1