3-[8-[bis(azanyl)methylideneamino]octanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[8-[bis(azanyl)methylideneamino]octanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-(8-guanidinooctanoylamino)propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[8-(diaminomethylideneamino)-1-oxooctyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[8-(diaminomethylideneamino)octanoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-(8-guanidinooctanoylamino)propionic acid Formula: C18H29N5O5S MolecularWeight: 427.51836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O5S/c19-18(20)21-12-8-3-1-2-7-11-16(24)22-13-15(17(25)26)23-29(27,28)14-9-5-4-6-10-14/h4-6,9-10,15,23H,1-3,7-8,11-13H2,(H,22,24)(H,25,26)(H4,19,20,21)