2-acetamido-1-(2-azanyl-3-phenyl-propanoyl)-1-pentanoyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 2-acetamido-1-(2-azanyl-3-phenyl-propanoyl)-1-pentanoyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 2-acetamido-1-(2-amino-3-phenyl-propanoyl)-1-pentanoyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 2-acetamido-1-(2-amino-1-oxo-3-phenylpropyl)-1-(1-oxopentyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 2-acetamido-1-(2-amino-3-phenylpropanoyl)-1-pentanoylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 2-acetamido-1-phenylalanyl-1-valeryl-pyrrolidin-1-ium-2-carboxylic acid Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+]1(CCCC1(C(=O)O)NC(=O)C)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCCC(=O)[N+]1(CCCC1(C(=O)O)NC(=O)C)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C21H29N3O5/c1-3-4-11-18(26)24(13-8-12-21(24,20(28)29)23-15(2)25)19(27)17(22)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-14,22H2,1-2H3,(H-,23,25,28,29)/p+1