ethyl 2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]propanoate

Systemtic Name: ethyl 2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: ethyl 2-[[2-(2-naphthylsulfonylamino)acetyl]amino]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]propanoate CAS Name: 2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propanoate Traditional Name: 2-[[2-(2-naphthylsulfonylamino)acetyl]amino]-3-[[1-(4-pyridyl)isonipecotoyl]amino]propionic acid ethyl ester Formula: C28H33N5O6S MolecularWeight: 567.65652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1CCN(CC1)C2=CC=NC=C2)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1CCN(CC1)C2=CC=NC=C2)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O6S/c1-2-39-28(36)25(18-30-27(35)21-11-15-33(16-12-21)23-9-13-29-14-10-23)32-26(34)19-31-40(37,38)24-8-7-20-5-3-4-6-22(20)17-24/h3-10,13-14,17,21,25,31H,2,11-12,15-16,18-19H2,1H3,(H,30,35)(H,32,34)