(2S)-2-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)benzoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)benzoyl]amino]-4-methyl-valeric acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)C(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C20H31N3O4/c1-5-23(6-2)12-11-21-18(24)15-7-9-16(10-8-15)19(25)22-17(20(26)27)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t17-/m0/s1