(2S)-2-azanyl-5-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(3-methylbenzoyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(3-methylbenzoyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-(4-m-toluoylpiperazino)valeric acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-12-3-2-4-13(11-12)16(22)20-9-7-19(8-10-20)15(21)6-5-14(18)17(23)24/h2-4,11,14H,5-10,18H2,1H3,(H,23,24)/t14-/m0/s1