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

Systemtic Name: 2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]propanoic acid Openeye Name: 2-[[2-(2-naphthylsulfonylamino)acetyl]amino]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propanoic acid Traditional Name: 2-[[2-(2-naphthylsulfonylamino)acetyl]amino]-3-[[1-(4-pyridyl)isonipecotoyl]amino]propionic acid Formula: C26H29N5O6S MolecularWeight: 539.60336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=NC=C4

InChI

InChI=1S/C26H29N5O6S/c32-24(17-29-38(36,37)22-6-5-18-3-1-2-4-20(18)15-22)30-23(26(34)35)16-28-25(33)19-9-13-31(14-10-19)21-7-11-27-12-8-21/h1-8,11-12,15,19,23,29H,9-10,13-14,16-17H2,(H,28,33)(H,30,32)(H,34,35)