[2-azanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [2-amino-3-(tert-butoxycarbonylamino)-3-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl] ester IUPAC Name: [2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-3-(tert-butoxycarbonylamino)-3-keto-propyl] ester Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C15H22N2O6S/c1-10-5-7-11(8-6-10)24(20,21)22-9-12(16)13(18)17-14(19)23-15(2,3)4/h5-8,12H,9,16H2,1-4H3,(H,17,18,19)