phenyl (E,3S)-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-ene-1-sulfonate

Systemtic Name: phenyl (E,3S)-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-ene-1-sulfonate Openeye Name: phenyl (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]but-1-ene-1-sulfonate CAS Name: (E,3S)-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-1-butene-1-sulfonic acid phenyl ester IUPAC Name: phenyl (E,3S)-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-ene-1-sulfonate Traditional Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]but-1-ene-1-sulfonic acid phenyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CS(=O)(=O)OC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](/C=C/S(=O)(=O)OC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O6S/c1-21(17-18-36(32,33)35-24-15-9-4-10-16-24)28-26(30)25(19-22-11-5-2-6-12-22)29-27(31)34-20-23-13-7-3-8-14-23/h2-18,21,25H,19-20H2,1H3,(H,28,30)(H,29,31)/b18-17+/t21-,25-/m0/s1