(2S)-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid

Systemtic Name: (2S)-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: (2S)-4-(5-chloro-2-methyl-anilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: (2S)-4-(5-chloro-2-methylanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: (2S)-4-(5-chloro-2-methylanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: (2S)-4-(5-chloro-2-methyl-anilino)-4-keto-2-piperazino-butyric acid Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)N2CCNCC2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[C@@H](C(=O)O)N2CCNCC2

InChI

InChI=1S/C15H20ClN3O3/c1-10-2-3-11(16)8-12(10)18-14(20)9-13(15(21)22)19-6-4-17-5-7-19/h2-3,8,13,17H,4-7,9H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1