2-[2-[[3-methyl-2-[(1-phenylpiperazin-1-ium-1-yl)carbonylamino]butanoyl]amino]propanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[3-methyl-2-[(1-phenylpiperazin-1-ium-1-yl)carbonylamino]butanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[3-methyl-2-[(1-phenylpiperazin-1-ium-1-carbonyl)amino]butanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[3-methyl-1-oxo-2-[[oxo-(1-phenyl-1-piperazin-1-iumyl)methyl]amino]butyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[3-methyl-2-[(1-phenylpiperazin-1-ium-1-carbonyl)amino]butanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[3-methyl-2-[(1-phenylpiperazin-1-ium-1-carbonyl)amino]butanoyl]amino]propanoylamino]succinic acid Formula: C23H34N5O7+ MolecularWeight: 492.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)[N+]1(CCNCC1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)[N+]1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C23H33N5O7/c1-14(2)19(21(32)25-15(3)20(31)26-17(22(33)34)13-18(29)30)27-23(35)28(11-9-24-10-12-28)16-7-5-4-6-8-16/h4-8,14-15,17,19,24H,9-13H2,1-3H3,(H4-,25,26,27,29,30,31,32,33,34,35)/p+1