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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)OS(=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)