(4-nitrophenyl) (Z,3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-sulfanyl-pent-1-ene-1-sulfonate

Systemtic Name: (4-nitrophenyl) (Z,3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-sulfanyl-pent-1-ene-1-sulfonate Openeye Name: (4-nitrophenyl) (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-2-sulfanyl-pent-1-ene-1-sulfonate CAS Name: (Z,3S)-2-mercapto-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-5-phenyl-1-pentene-1-sulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (Z,3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-sulfanylpent-1-ene-1-sulfonate Traditional Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-mercapto-5-phenyl-pent-1-ene-1-sulfonic acid (4-nitrophenyl) ester Formula: C34H33N3O8S2 MolecularWeight: 675.77112

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H33N3O8S2/c38-33(31(22-26-12-6-2-7-13-26)36-34(39)44-23-27-14-8-3-9-15-27)35-30(21-16-25-10-4-1-5-11-25)32(46)24-47(42,43)45-29-19-17-28(18-20-29)37(40)41/h1-15,17-20,24,30-31,46H,16,21-23H2,(H,35,38)(H,36,39)/b32-24-/t30-,31-/m0/s1