3-[[4-[[(4-bromanyl-3-chloranyl-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-bromanyl-3-chloranyl-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-bromo-3-chloro-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(4-bromo-3-chloroanilino)-oxomethyl]amino]-(4-cyclohexylphenyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-bromo-3-chlorophenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-bromo-3-chloro-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propionic acid Formula: C30H31BrClN3O4 MolecularWeight: 612.94184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=C(C=C4)Br)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=C(C=C4)Br)Cl

InChI

InChI=1S/C30H31BrClN3O4/c31-25-15-14-24(18-26(25)32)34-30(39)35-28(21-8-6-20(7-9-21)19-4-2-1-3-5-19)22-10-12-23(13-11-22)29(38)33-17-16-27(36)37/h6-15,18-19,28H,1-5,16-17H2,(H,33,38)(H,36,37)(H2,34,35,39)