1-[(2S)-2-azanylpropanoyl]-1-[(2S)-3-oxidanylidenehexan-2-yl]-3-(phenylmethyl)pyrrolidin-1-ium-2,5-dione

Systemtic Name: 1-[(2S)-2-azanylpropanoyl]-1-[(2S)-3-oxidanylidenehexan-2-yl]-3-(phenylmethyl)pyrrolidin-1-ium-2,5-dione Openeye Name: 1-[(2S)-2-aminopropanoyl]-3-benzyl-1-[(1S)-1-methyl-2-oxo-pentyl]pyrrolidin-1-ium-2,5-dione CAS Name: 1-[(2S)-2-amino-1-oxopropyl]-1-[(2S)-3-oxohexan-2-yl]-3-(phenylmethyl)pyrrolidin-1-ium-2,5-dione IUPAC Name: 1-[(2S)-2-aminopropanoyl]-3-benzyl-1-[(2S)-3-oxohexan-2-yl]pyrrolidin-1-ium-2,5-dione Traditional Name: 1-[(2S)-2-aminopropanoyl]-3-benzyl-1-[(1S)-2-keto-1-methyl-pentyl]pyrrolidin-1-ium-2,5-quinone Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C)[N+]1(C(=O)CC(C1=O)CC2=CC=CC=C2)C(=O)C(C)N

Isomeric SMILES

CCCC(=O)[C@H](C)[N+]1(C(=O)CC(C1=O)CC2=CC=CC=C2)C(=O)[C@H](C)N

InChI

InChI=1S/C20H27N2O4/c1-4-8-17(23)14(3)22(19(25)13(2)21)18(24)12-16(20(22)26)11-15-9-6-5-7-10-15/h5-7,9-10,13-14,16H,4,8,11-12,21H2,1-3H3/q+1/t13-,14-,16?,22?/m0/s1