2-(phenylsulfonylamino)-3-[3-(4-piperidin-4-ylbutanoylamino)propanoylamino]propanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-3-[3-(4-piperidin-4-ylbutanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[3-[4-(4-piperidyl)butanoylamino]propanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[1-oxo-3-[[1-oxo-4-(4-piperidinyl)butyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[3-(4-piperidin-4-ylbutanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[3-[4-(4-piperidyl)butanoylamino]propanoylamino]propionic acid Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CNCCC1CCCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H32N4O6S/c26-19(8-4-5-16-9-12-22-13-10-16)23-14-11-20(27)24-15-18(21(28)29)25-32(30,31)17-6-2-1-3-7-17/h1-3,6-7,16,18,22,25H,4-5,8-15H2,(H,23,26)(H,24,27)(H,28,29)