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

Systemtic Name: 2-methyl-4-oxidanylidene-3-[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoylamino]azetidine-1-sulfonic acid Openeye Name: 3-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-methyl-4-oxo-3-[[1-oxo-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]ethyl]amino]-1-azetidinesulfonic acid IUPAC Name: 2-methyl-4-oxo-3-[[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]azetidine-1-sulfonic acid Traditional Name: 3-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C23H26N4O8S MolecularWeight: 518.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O8S/c1-15-20(22(30)27(15)36(32,33)34)26-19(28)13-24-21(29)18(12-16-8-4-2-5-9-16)25-23(31)35-14-17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3,(H,24,29)(H,25,31)(H,26,28)(H,32,33,34)