ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-nonan-5-yl-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-nonan-5-yl-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[3-(tert-butoxycarbonylamino)-1-(1-butylpentyl)-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-nonan-5-yl-4-(1-oxopropyl)-2-piperazinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-nonan-5-yl-4-propanoylpiperazin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[3-(tert-butoxycarbonylamino)-1-(1-butylpentyl)-4-propionyl-piperazin-2-yl]thio]nicotinic acid ethyl ester Formula: C29H48N4O5S MolecularWeight: 564.78022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)N1CCN(C(C1SC2=C(C=CC=N2)C(=O)OCC)NC(=O)OC(C)(C)C)C(=O)CC

Isomeric SMILES

CCCCC(CCCC)N1CCN(C(C1SC2=C(C=CC=N2)C(=O)OCC)NC(=O)OC(C)(C)C)C(=O)CC

InChI

InChI=1S/C29H48N4O5S/c1-8-12-15-21(16-13-9-2)32-19-20-33(23(34)10-3)24(31-28(36)38-29(5,6)7)26(32)39-25-22(17-14-18-30-25)27(35)37-11-4/h14,17-18,21,24,26H,8-13,15-16,19-20H2,1-7H3,(H,31,36)