ethyl 4-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[(1R)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C19H27N3O4/c1-3-26-19(25)22-11-9-21(10-12-22)14-18(24)20-17(15(2)23)13-16-7-5-4-6-8-16/h4-8,17H,3,9-14H2,1-2H3,(H,20,24)/p+1/t17-/m1/s1