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

Systemtic Name: 2-[(2-tert-butylphenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-[(2-tert-butylphenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-[(2-tert-butylphenyl)sulfonylamino]-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-[(2-tert-butylphenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-[(2-tert-butylphenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C24H38N4O6S MolecularWeight: 510.64672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C24H38N4O6S/c1-24(2,3)18-6-4-5-7-20(18)35(33,34)28-19(23(31)32)16-27-22(30)12-15-26-21(29)9-8-17-10-13-25-14-11-17/h4-7,17,19,25,28H,8-16H2,1-3H3,(H,26,29)(H,27,30)(H,31,32)