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

Systemtic Name: methyl (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)benzoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(2-diethylaminoethylcarbamoyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c1-6-24(7-2)13-12-22-19(25)16-8-10-17(11-9-16)20(26)23-18(14-15(3)4)21(27)28-5/h8-11,15,18H,6-7,12-14H2,1-5H3,(H,22,25)(H,23,26)/t18-/m0/s1