3-[6-[bis(azanyl)methylideneamino]hexylcarbamoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[6-[bis(azanyl)methylideneamino]hexylcarbamoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-(6-guanidinohexylcarbamoylamino)propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[6-(diaminomethylideneamino)hexylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[6-(diaminomethylideneamino)hexylcarbamoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-(6-guanidinohexylcarbamoylamino)propionic acid Formula: C17H28N6O5S MolecularWeight: 428.50642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O5S/c18-16(19)20-10-6-1-2-7-11-21-17(26)22-12-14(15(24)25)23-29(27,28)13-8-4-3-5-9-13/h3-5,8-9,14,23H,1-2,6-7,10-12H2,(H,24,25)(H4,18,19,20)(H2,21,22,26)