[2-[[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[(3S)-3-acetamido-3-(4-chlorophenyl)-1-oxopropyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C25H33ClN3O2+ MolecularWeight: 443.00142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC=CC=C1C[NH+](C)C2CCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)NC1=CC=CC=C1C[NH+](C)C2CCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H32ClN3O2/c1-18(30)27-24(19-12-14-21(26)15-13-19)16-25(31)28-23-11-7-6-8-20(23)17-29(2)22-9-4-3-5-10-22/h6-8,11-15,22,24H,3-5,9-10,16-17H2,1-2H3,(H,27,30)(H,28,31)/p+1/t24-/m0/s1