2-[6-azanyl-1-oxidanylidene-1-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexan-2-yl]benzenesulfonic acid

Systemtic Name: 2-[6-azanyl-1-oxidanylidene-1-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexan-2-yl]benzenesulfonic acid Openeye Name: 2-[5-amino-1-benzyloxycarbonyl-1-(benzyloxycarbonylamino)pentyl]benzenesulfonic acid CAS Name: 2-[6-amino-1-oxo-1-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexan-2-yl]benzenesulfonic acid IUPAC Name: 2-[6-amino-1-oxo-1-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexan-2-yl]benzenesulfonic acid Traditional Name: 2-[5-amino-1-(benzyloxycarbonylamino)-1-carbobenzoxy-pentyl]besylic acid Formula: C27H30N2O7S MolecularWeight: 526.6013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCCN)(C2=CC=CC=C2S(=O)(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCCN)(C2=CC=CC=C2S(=O)(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O7S/c28-18-10-9-17-27(23-15-7-8-16-24(23)37(32,33)34,25(30)35-19-21-11-3-1-4-12-21)29-26(31)36-20-22-13-5-2-6-14-22/h1-8,11-16H,9-10,17-20,28H2,(H,29,31)(H,32,33,34)