3-[7-[bis(azanyl)methylideneamino]oxyheptanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[7-[bis(azanyl)methylideneamino]oxyheptanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-(7-guanidinooxyheptanoylamino)propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[7-(diaminomethylideneamino)oxy-1-oxoheptyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[7-(diaminomethylideneamino)oxyheptanoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-(7-guanidinooxyheptanoylamino)propionic acid Formula: C17H27N5O6S MolecularWeight: 429.49118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCCCON=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCCCON=C(N)N)C(=O)O

InChI

InChI=1S/C17H27N5O6S/c18-17(19)21-28-11-7-2-1-6-10-15(23)20-12-14(16(24)25)22-29(26,27)13-8-4-3-5-9-13/h3-5,8-9,14,22H,1-2,6-7,10-12H2,(H,20,23)(H,24,25)(H4,18,19,21)