(4-nitrophenyl) (3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonate

Systemtic Name: (4-nitrophenyl) (3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonate Openeye Name: (4-nitrophenyl) (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pentane-1-sulfonate CAS Name: (3S)-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-5-phenyl-1-pentanesulfonic acid IUPAC Name: (4-nitrophenyl) (3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonate Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pentane-1-sulfonic acid (4-nitrophenyl) ester Formula: C34H35N3O8S MolecularWeight: 645.722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCS(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C34H35N3O8S/c38-33(32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-14-8-3-9-15-28)35-29(17-16-26-10-4-1-5-11-26)22-23-46(42,43)45-31-20-18-30(19-21-31)37(40)41/h1-15,18-21,29,32H,16-17,22-25H2,(H,35,38)(H,36,39)/t29-,32-/m0/s1