2-[2-azanyl-4-[3-oxidanylidene-3-(4-phenylbutylamino)-2-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-azanyl-4-[3-oxidanylidene-3-(4-phenylbutylamino)-2-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid Openeye Name: 2-[2-amino-4-[2-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid CAS Name: 2-[2-amino-4-[2-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid IUPAC Name: 2-[2-amino-4-[2-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid Traditional Name: 2-[2-amino-4-[2-(benzenesulfonamido)-3-keto-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O6S/c28-23-17-21(14-15-25(23)36-19-26(31)32)18-24(30-37(34,35)22-12-5-2-6-13-22)27(33)29-16-8-7-11-20-9-3-1-4-10-20/h1-6,9-10,12-15,17,24,30H,7-8,11,16,18-19,28H2,(H,29,33)(H,31,32)