2-[1-[[[2-azanyl-3-(4-bromophenyl)propanoyl]amino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[[2-azanyl-3-(4-bromophenyl)propanoyl]amino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[[2-amino-3-(4-bromophenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[2-amino-3-(4-bromophenyl)-1-oxopropyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[[2-amino-3-(4-bromophenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[[2-amino-3-(4-bromophenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid Formula: C18H25BrN2O3 MolecularWeight: 397.3067

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)O)CNC(=O)C(CC2=CC=C(C=C2)Br)N

Isomeric SMILES

C1CCC(CC1)(CC(=O)O)CNC(=O)C(CC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C18H25BrN2O3/c19-14-6-4-13(5-7-14)10-15(20)17(24)21-12-18(11-16(22)23)8-2-1-3-9-18/h4-7,15H,1-3,8-12,20H2,(H,21,24)(H,22,23)