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2-[(butylsulfonylamino)methyl-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid

2-[(butylsulfonylamino)methyl-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid

Systemtic Name:2-[(butylsulfonylamino)methyl-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid
Openeye Name:2-[(butylsulfonylamino)methyl-[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid
CAS Name:2-[(butylsulfonylamino)methyl-[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid
IUPAC Name:2-[(butylsulfonylamino)methyl-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
Traditional Name:2-[(butylsulfonylamino)methyl-[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid
Formula: C22H40N4O6S
MolecularWeight: 488.6412
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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCN(C(C)C(=O)O)C(=O)C1CCCN(C1)C(=O)CCC2CCNCC2


Isomeric SMILES

CCCCS(=O)(=O)NCN(C(C)C(=O)O)C(=O)C1CCCN(C1)C(=O)CCC2CCNCC2


InChI

InChI=1S/C22H40N4O6S/c1-3-4-14-33(31,32)24-16-26(17(2)22(29)30)21(28)19-6-5-13-25(15-19)20(27)8-7-18-9-11-23-12-10-18/h17-19,23-24H,3-16H2,1-2H3,(H,29,30)


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