2-oxidanylidene-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-phenylsulfanyl-azetidine-1-sulfonic acid

Systemtic Name: 2-oxidanylidene-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-phenylsulfanyl-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-oxo-4-phenylsulfanyl-azetidine-1-sulfonic acid CAS Name: 2-oxo-3-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-(phenylthio)-1-azetidinesulfonic acid IUPAC Name: 2-oxo-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-phenylsulfanylazetidine-1-sulfonic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-keto-4-(phenylthio)azetidine-1-sulfonic acid Formula: C26H25N3O7S2 MolecularWeight: 555.6226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2C(N(C2=O)S(=O)(=O)O)SC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2C(N(C2=O)S(=O)(=O)O)SC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O7S2/c30-23(28-22-24(31)29(38(33,34)35)25(22)37-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)36-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,33,34,35)