1-[1-[2,6-bis(azanyl)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]pyrrolidin-2-yl]carbonyl-1-diethylphosphoryl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[1-[2,6-bis(azanyl)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]pyrrolidin-2-yl]carbonyl-1-diethylphosphoryl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-[1-(2,6-diamino-7-benzyloxy-7-oxo-heptanoyl)pyrrolidine-2-carbonyl]-1-diethylphosphoryl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[[1-(2,6-diamino-1,7-dioxo-7-phenylmethoxyheptyl)-2-pyrrolidinyl]-oxomethyl]-1-diethylphosphoryl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[1-(2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl)pyrrolidine-2-carbonyl]-1-diethylphosphorylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-[1-(2,6-diamino-7-benzoxy-7-keto-heptanoyl)prolyl]-1-diethylphosphoryl-pyrrolidin-1-ium-2-carboxylic acid Formula: C28H44N4O7P+ MolecularWeight: 579.645321

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC)[N+]1(CCCC1C(=O)O)C(=O)C2CCCN2C(=O)C(CCCC(C(=O)OCC3=CC=CC=C3)N)N

Isomeric SMILES

CCP(=O)(CC)[N+]1(CCCC1C(=O)O)C(=O)C2CCCN2C(=O)C(CCCC(C(=O)OCC3=CC=CC=C3)N)N

InChI

InChI=1S/C28H43N4O7P/c1-3-40(38,4-2)32(18-10-16-24(32)27(35)36)26(34)23-15-9-17-31(23)25(33)21(29)13-8-14-22(30)28(37)39-19-20-11-6-5-7-12-20/h5-7,11-12,21-24H,3-4,8-10,13-19,29-30H2,1-2H3/p+1