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

Systemtic Name: 2-[[(2S)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[(2S)-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanoyl]amino]ethanesulfonic acid Formula: C15H21N3O7S MolecularWeight: 387.40814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O7S/c1-11(14(20)16-7-8-26(22,23)24)18-13(19)9-17-15(21)25-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,20)(H,17,21)(H,18,19)(H,22,23,24)/t11-/m0/s1