2-(butylsulfonylamino)-3-[4-[[methyl-[2-[4-[(3-methylpyridin-2-yl)carbamoylamino]piperidin-1-yl]ethanoyl]amino]methyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[[methyl-[2-[4-[(3-methylpyridin-2-yl)carbamoylamino]piperidin-1-yl]ethanoyl]amino]methyl]pyrazol-1-yl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[[methyl-[2-[4-[(3-methyl-2-pyridyl)carbamoylamino]-1-piperidyl]acetyl]amino]methyl]pyrazol-1-yl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[[methyl-[2-[4-[[[(3-methyl-2-pyridinyl)amino]-oxomethyl]amino]-1-piperidinyl]-1-oxoethyl]amino]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[[methyl-[2-[4-[(3-methylpyridin-2-yl)carbamoylamino]piperidin-1-yl]acetyl]amino]methyl]pyrazol-1-yl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[4-[[methyl-[2-[4-[(3-methyl-2-pyridyl)carbamoylamino]piperidino]acetyl]amino]methyl]pyrazol-1-yl]propionic acid Formula: C26H40N8O6S MolecularWeight: 592.7108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CN1C=C(C=N1)CN(C)C(=O)CN2CCC(CC2)NC(=O)NC3=C(C=CC=N3)C)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CN1C=C(C=N1)CN(C)C(=O)CN2CCC(CC2)NC(=O)NC3=C(C=CC=N3)C)C(=O)O

InChI

InChI=1S/C26H40N8O6S/c1-4-5-13-41(39,40)31-22(25(36)37)17-34-16-20(14-28-34)15-32(3)23(35)18-33-11-8-21(9-12-33)29-26(38)30-24-19(2)7-6-10-27-24/h6-7,10,14,16,21-22,31H,4-5,8-9,11-13,15,17-18H2,1-3H3,(H,36,37)(H2,27,29,30,38)