2-[[2-[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: 2-[[2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[[2-[(2-ammonio-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]acetate IUPAC Name: 2-[[2-[[2-[(2-azaniumyl-3-phenylpropanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[[2-[(2-ammonio-3-phenyl-propanoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetate Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)[O-])[NH3+]

InChI

InChI=1S/C22H26N4O5/c23-17(11-15-7-3-1-4-8-15)21(30)24-13-19(27)26-18(22(31)25-14-20(28)29)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14,23H2,(H,24,30)(H,25,31)(H,26,27)(H,28,29)