(2S)-N-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]pyrrolidin-1-ium-2-carboxamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(=O)C2CCC[NH2+]2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)NC(=O)[C@@H]2CCC[NH2+]2)N)C)O

InChI

InChI=1S/C16H23N3O3/c1-9-6-11(20)7-10(2)12(9)8-13(17)15(21)19-16(22)14-4-3-5-18-14/h6-7,13-14,18,20H,3-5,8,17H2,1-2H3,(H,19,21,22)/p+1/t13-,14-/m0/s1