(2S)-2-benzamido-5-[4-(4-cyclohexylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(4-cyclohexylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(4-cyclohexylphenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(4-cyclohexylphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(4-cyclohexylphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(4-cyclohexylphenyl)piperazino]-5-keto-valeric acid Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)CCC(C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)CC[C@@H](C(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O4/c32-26(16-15-25(28(34)35)29-27(33)23-9-5-2-6-10-23)31-19-17-30(18-20-31)24-13-11-22(12-14-24)21-7-3-1-4-8-21/h2,5-6,9-14,21,25H,1,3-4,7-8,15-20H2,(H,29,33)(H,34,35)/t25-/m0/s1