(2R)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: (2R)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: (2R)-3-(benzotriazol-1-yloxy)-2-(tert-butoxycarbonylamino)-3-oxo-propane-1-sulfonic acid CAS Name: (2R)-3-(1-benzotriazolyloxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-propanesulfonic acid IUPAC Name: (2R)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropane-1-sulfonic acid Traditional Name: (2R)-3-(benzotriazol-1-yloxy)-2-(tert-butoxycarbonylamino)-3-keto-propane-1-sulfonic acid Formula: C14H18N4O7S MolecularWeight: 386.38032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)(=O)O)C(=O)ON1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)O)C(=O)ON1C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H18N4O7S/c1-14(2,3)24-13(20)15-10(8-26(21,22)23)12(19)25-18-11-7-5-4-6-9(11)16-17-18/h4-7,10H,8H2,1-3H3,(H,15,20)(H,21,22,23)/t10-/m0/s1