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

Systemtic Name: phenyl (E,3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-ene-1-sulfonate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C34H34N2O6S MolecularWeight: 598.70856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C=CS(=O)(=O)OC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](/C=C/S(=O)(=O)OC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C34H34N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,23-24,30,32H,21-22,25-26H2,(H,35,37)(H,36,38)/b24-23+/t30-,32-/m0/s1