3-[6-[carbamimidoyl(methyl)amino]hexoxycarbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[6-[carbamimidoyl(methyl)amino]hexoxycarbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[6-[carbamimidoyl(methyl)amino]hexoxycarbonylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[6-[carbamimidoyl(methyl)amino]hexoxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[6-[carbamimidoyl(methyl)amino]hexoxycarbonylamino]propanoic acid Traditional Name: 3-[6-[amidino(methyl)amino]hexoxycarbonylamino]-2-(benzenesulfonamido)propionic acid Formula: C18H29N5O6S MolecularWeight: 443.51776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1)C(=N)N

Isomeric SMILES

CN(CCCCCCOC(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1)C(=N)N

InChI

InChI=1S/C18H29N5O6S/c1-23(17(19)20)11-7-2-3-8-12-29-18(26)21-13-15(16(24)25)22-30(27,28)14-9-5-4-6-10-14/h4-6,9-10,15,22H,2-3,7-8,11-13H2,1H3,(H3,19,20)(H,21,26)(H,24,25)