3-[[5-oxidanylidene-5-(piperidin-4-ylmethylamino)pentanoyl]amino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-5-(piperidin-4-ylmethylamino)pentanoyl]amino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[5-oxo-5-(4-piperidylmethylamino)pentanoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[1,5-dioxo-5-(4-piperidinylmethylamino)pentyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[5-oxo-5-(piperidin-4-ylmethylamino)pentanoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[5-keto-5-(4-piperidylmethylamino)pentanoyl]amino]propionic acid Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC(=O)CCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CNCCC1CNC(=O)CCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H30N4O6S/c25-18(22-13-15-9-11-21-12-10-15)7-4-8-19(26)23-14-17(20(27)28)24-31(29,30)16-5-2-1-3-6-16/h1-3,5-6,15,17,21,24H,4,7-14H2,(H,22,25)(H,23,26)(H,27,28)