2-[[4-(3-aminophenyl)piperazin-1-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-[[4-(3-aminophenyl)piperazin-1-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-[[4-(3-aminophenyl)piperazine-1-carbonyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 2-[[[4-(3-aminophenyl)-1-piperazinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[[4-(3-aminophenyl)piperazine-1-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-[[4-(3-aminophenyl)piperazine-1-carbonyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)N1CCN(CC1)C2=CC(=CC=C2)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)(NC(=O)N1CCN(CC1)C2=CC(=CC=C2)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O5/c1-22(19(28)29,25-21(31)32-15-16-6-3-2-4-7-16)24-20(30)27-12-10-26(11-13-27)18-9-5-8-17(23)14-18/h2-9,14H,10-13,15,23H2,1H3,(H,24,30)(H,25,31)(H,28,29)