2-benzamido-3-[3-[2-(cyclohexylamino)propanoyl]-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[3-[2-(cyclohexylamino)propanoyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-benzamido-3-[3-[2-(cyclohexylamino)propanoyl]-4-hydroxy-phenyl]propanoic acid CAS Name: 2-benzamido-3-[3-[2-(cyclohexylamino)-1-oxopropyl]-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-benzamido-3-[3-[2-(cyclohexylamino)propanoyl]-4-hydroxyphenyl]propanoic acid Traditional Name: 2-benzamido-3-[3-[2-(cyclohexylamino)propanoyl]-4-hydroxy-phenyl]propionic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)O)NC3CCCCC3

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)O)NC3CCCCC3

InChI

InChI=1S/C25H30N2O5/c1-16(26-19-10-6-3-7-11-19)23(29)20-14-17(12-13-22(20)28)15-21(25(31)32)27-24(30)18-8-4-2-5-9-18/h2,4-5,8-9,12-14,16,19,21,26,28H,3,6-7,10-11,15H2,1H3,(H,27,30)(H,31,32)