2-[[4-chloranyl-3-(cyclohexylcarbonylamino)phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-chloranyl-3-(cyclohexylcarbonylamino)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-chloro-3-(cyclohexanecarbonylamino)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-chloro-3-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-chloro-3-(cyclohexanecarbonylamino)benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-chloro-3-(cyclohexanecarbonylamino)benzoyl]amino]-4-methyl-valeric acid Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCCC2

InChI

InChI=1S/C20H27ClN2O4/c1-12(2)10-17(20(26)27)23-19(25)14-8-9-15(21)16(11-14)22-18(24)13-6-4-3-5-7-13/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)