sodium [4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]phenyl] sulfate

Systemtic Name: sodium [4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]phenyl] sulfate Openeye Name: sodium [4-[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-3-oxo-propyl]phenyl] sulfate CAS Name: sodium [4-[(2S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl] sulfate IUPAC Name: sodium [4-[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] sulfate Traditional Name: sodium [4-[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-3-keto-propyl]phenyl] sulfate Formula: C14H18NNaO8S MolecularWeight: 383.34939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C14H19NO8S.Na/c1-14(2,3)22-13(18)15-11(12(16)17)8-9-4-6-10(7-5-9)23-24(19,20)21;/h4-7,11H,8H2,1-3H3,(H,15,18)(H,16,17)(H,19,20,21);/q;+1/p-1/t11-;/m0./s1