2-[(2-bromophenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid

Systemtic Name: 2-[(2-bromophenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-[(2-bromophenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-[(2-bromophenyl)sulfonylamino]-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-[(2-bromophenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-[(2-bromophenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C20H29BrN4O6S MolecularWeight: 533.43646

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H29BrN4O6S/c21-15-3-1-2-4-17(15)32(30,31)25-16(20(28)29)13-24-19(27)9-12-23-18(26)6-5-14-7-10-22-11-8-14/h1-4,14,16,22,25H,5-13H2,(H,23,26)(H,24,27)(H,28,29)