1-[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonyl-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonyl-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-1-[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[[1-(2,6-diamino-1-oxohexyl)-2-pyrrolidinyl]-oxomethyl]-1-phenylmethoxycarbonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]-1-phenylmethoxycarbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-carbobenzoxy-1-[1-(2,6-diaminohexanoyl)prolyl]pyrrolidin-1-ium-2-carboxylic acid Formula: C24H35N4O6+ MolecularWeight: 475.5579

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)N)C(=O)[N+]2(CCCC2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)N)C(=O)[N+]2(CCCC2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H34N4O6/c25-13-5-4-10-18(26)21(29)27-14-6-11-19(27)22(30)28(15-7-12-20(28)23(31)32)24(33)34-16-17-8-2-1-3-9-17/h1-3,8-9,18-20H,4-7,10-16,25-26H2/p+1