2-[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[5-[[3-(tert-butoxycarbonylamino)phenyl]carbamoyl]-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[5-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]anilino]-oxomethyl]-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-[[3-(tert-butoxycarbonylamino)phenyl]carbamoyl]-2-pyridyl]thio]acetic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)SCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)SCC(=O)O

InChI

InChI=1S/C19H21N3O5S/c1-19(2,3)27-18(26)22-14-6-4-5-13(9-14)21-17(25)12-7-8-15(20-10-12)28-11-16(23)24/h4-10H,11H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)