(2S)-2-azanyl-5-oxidanylidene-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-amino-5-oxo-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid CAS Name: (2S)-2-amino-5-oxo-5-[4-(2,4,6-trimethylphenyl)-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-amino-5-oxo-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-(4-mesitylpiperazino)valeric acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CCC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N)C

InChI

InChI=1S/C18H27N3O3/c1-12-10-13(2)17(14(3)11-12)21-8-6-20(7-9-21)16(22)5-4-15(19)18(23)24/h10-11,15H,4-9,19H2,1-3H3,(H,23,24)/t15-/m0/s1