methyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-14(24)22-18(12-15-6-4-3-5-7-15)20(26)23-19(21(27)28-2)13-16-8-10-17(25)11-9-16/h3-11,18-19,25H,12-13H2,1-2H3,(H,22,24)(H,23,26)/t18-,19-/m0/s1