2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]ethanesulfonic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCS(=O)(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NCCS(=O)(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O6S/c1-10(12(16)14-7-8-22(18,19)20)15-13(17)21-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,16)(H,15,17)(H,18,19,20)/t10-/m0/s1