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

Systemtic Name: phenyl 5-phenyl-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonate Openeye Name: phenyl 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pentane-1-sulfonate CAS Name: 3-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-5-phenyl-1-pentanesulfonic acid IUPAC Name: phenyl 5-phenyl-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonate Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-phenyl-pentane-1-sulfonic acid phenyl ester Formula: C34H36N2O6S MolecularWeight: 600.72444

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H36N2O6S/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/h1-20,30,32H,21-26H2,(H,35,37)(H,36,38)