(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid hydrate

Systemtic Name: (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid hydrate Openeye Name: (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid hydrate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-phenylpropanoic acid hydrate IUPAC Name: (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid hydrate Traditional Name: (2S)-3-phenyl-2-[[(E)-3-phenylacryloyl]amino]propionic acid hydrate Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C=CC2=CC=CC=C2.O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)/C=C/C2=CC=CC=C2.O

InChI

InChI=1S/C18H17NO3.H2O/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15;/h1-12,16H,13H2,(H,19,20)(H,21,22);1H2/b12-11+;/t16-;/m0./s1