(2S)-1-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-2-butyl-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-2-butyl-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]-1-benzyloxycarbonyl-2-butyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-2-butyl-1-phenylmethoxycarbonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-2-butyl-1-phenylmethoxycarbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]-2-butyl-1-carbobenzoxy-pyrrolidin-1-ium-2-carboxylic acid Formula: C23H35N2O5+ MolecularWeight: 419.5344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC[N+]1(C(=O)C(C(C)CC)N)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC[C@]1(CCC[N+]1(C(=O)[C@H]([C@@H](C)CC)N)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H34N2O5/c1-4-6-13-23(21(27)28)14-10-15-25(23,20(26)19(24)17(3)5-2)22(29)30-16-18-11-8-7-9-12-18/h7-9,11-12,17,19H,4-6,10,13-16,24H2,1-3H3/p+1/t17-,19-,23-,25?/m0/s1