2-[carboxy-[2-[4-(cyclohexylcarbamoyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[4-(cyclohexylcarbamoyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[4-(cyclohexylcarbamoyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[4-[(cyclohexylamino)-oxomethyl]phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[4-(cyclohexylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[4-(cyclohexylcarbamoyl)phenyl]ethyl]amino]-4-methyl-valeric acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CC=C(C=C1)C(=O)NC2CCCCC2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CC=C(C=C1)C(=O)NC2CCCCC2)C(=O)O

InChI

InChI=1S/C22H32N2O5/c1-15(2)14-19(21(26)27)24(22(28)29)13-12-16-8-10-17(11-9-16)20(25)23-18-6-4-3-5-7-18/h8-11,15,18-19H,3-7,12-14H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)