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

Systemtic Name: 2-methyl-4-oxidanylidene-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]azetidine-1-sulfonic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-methyl-4-oxo-3-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-1-azetidinesulfonic acid IUPAC Name: 2-methyl-4-oxo-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]azetidine-1-sulfonic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O7S/c1-14-18(20(26)24(14)32(28,29)30)23-19(25)17(12-15-8-4-2-5-9-15)22-21(27)31-13-16-10-6-3-7-11-16/h2-11,14,17-18H,12-13H2,1H3,(H,22,27)(H,23,25)(H,28,29,30)