[(4S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-5-phenyl-pentyl] methanesulfonate

Systemtic Name: [(4S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-5-phenyl-pentyl] methanesulfonate Openeye Name: [(4S,5R)-5-(tert-butoxycarbonylamino)-4-nitro-5-phenyl-pentyl] methanesulfonate CAS Name: methanesulfonic acid [(4S,5R)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitro-5-phenylpentyl] ester IUPAC Name: [(4S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-5-phenylpentyl] methanesulfonate Traditional Name: methanesulfonic acid [(4S,5R)-5-(tert-butoxycarbonylamino)-4-nitro-5-phenyl-pentyl] ester Formula: C17H26N2O7S MolecularWeight: 402.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(CCCOS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)[C@H](CCCOS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O7S/c1-17(2,3)26-16(20)18-15(13-9-6-5-7-10-13)14(19(21)22)11-8-12-25-27(4,23)24/h5-7,9-10,14-15H,8,11-12H2,1-4H3,(H,18,20)/t14-,15+/m0/s1