(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid; piperazine-2,3-dione

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid; piperazine-2,3-dione Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid; piperazine-2,3-dione CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid; piperazine-2,3-dione IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoic acid; piperazine-2,3-dione Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-valeric acid; piperazine-2,3-quinone Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N.C1CNC(=O)C(=O)N1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N.C1CNC(=O)C(=O)N1

InChI

InChI=1S/C15H22N2O3.C4H6N2O2/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11;7-3-4(8)6-2-1-5-3/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20);1-2H2,(H,5,7)(H,6,8)/t12-,13-;/m0./s1