ethyl (E,3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-ene-1-sulfonate

Systemtic Name: ethyl (E,3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-ene-1-sulfonate Openeye Name: ethyl (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pent-1-ene-1-sulfonate CAS Name: (E,3S)-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-5-phenyl-1-pentene-1-sulfonic acid ethyl ester IUPAC Name: ethyl (E,3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-ene-1-sulfonate Traditional Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pent-1-ene-1-sulfonic acid ethyl ester Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C=CC(CCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)/C=C/[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H34N2O6S/c1-2-38-39(35,36)21-20-27(19-18-24-12-6-3-7-13-24)31-29(33)28(22-25-14-8-4-9-15-25)32-30(34)37-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,31,33)(H,32,34)/b21-20+/t27-,28-/m0/s1