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

Systemtic Name: 2-[(2-butoxyphenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-[(2-butoxyphenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-[(2-butoxyphenyl)sulfonylamino]-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-[(2-butoxyphenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-[(2-butoxyphenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C24H38N4O7S MolecularWeight: 526.64612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C24H38N4O7S/c1-2-3-16-35-20-6-4-5-7-21(20)36(33,34)28-19(24(31)32)17-27-23(30)12-15-26-22(29)9-8-18-10-13-25-14-11-18/h4-7,18-19,25,28H,2-3,8-17H2,1H3,(H,26,29)(H,27,30)(H,31,32)