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

Systemtic Name: 2-oxidanylidene-3-[2-[phenyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoylamino]azetidine-1-sulfonic acid Openeye Name: 3-[[2-[N-[2-(benzyloxycarbonylamino)propanoyl]anilino]acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 2-oxo-3-[[1-oxo-2-(N-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]anilino)ethyl]amino]-1-azetidinesulfonic acid IUPAC Name: 2-oxo-3-[[2-[N-[2-(phenylmethoxycarbonylamino)propanoyl]anilino]acetyl]amino]azetidine-1-sulfonic acid Traditional Name: 3-[[2-[N-[2-(benzyloxycarbonylamino)propanoyl]anilino]acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C22H24N4O8S MolecularWeight: 504.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC(=O)NC1CN(C1=O)S(=O)(=O)O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CC(=O)NC1CN(C1=O)S(=O)(=O)O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O8S/c1-15(23-22(30)34-14-16-8-4-2-5-9-16)20(28)25(17-10-6-3-7-11-17)13-19(27)24-18-12-26(21(18)29)35(31,32)33/h2-11,15,18H,12-14H2,1H3,(H,23,30)(H,24,27)(H,31,32,33)