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

Systemtic Name: (2S)-1-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]-1-benzyloxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-1-phenylmethoxycarbonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-1-phenylmethoxycarbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]-1-carbobenzoxy-pyrrolidin-1-ium-2-carboxylic acid Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[N+]1(CCCC1C(=O)O)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-3-13(2)16(20)17(22)21(11-7-10-15(21)18(23)24)19(25)26-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12,20H2,1-2H3/p+1/t13-,15-,16-,21?/m0/s1