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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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