(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-sulfooxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-sulfoxyphenyl)propionic acid Formula: C14H19NO8S MolecularWeight: 361.36756

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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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H19NO8S/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)/t11-/m0/s1