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

Systemtic Name: 3-[8-[bis(azanyl)methylideneamino]octanoylamino]-2-(phenylmethoxysulfinylamino)propanoic acid Openeye Name: 2-(benzyloxysulfinylamino)-3-(8-guanidinooctanoylamino)propanoic acid CAS Name: 3-[[8-(diaminomethylideneamino)-1-oxooctyl]amino]-2-(phenylmethoxysulfinylamino)propanoic acid IUPAC Name: 3-[8-(diaminomethylideneamino)octanoylamino]-2-(phenylmethoxysulfinylamino)propanoic acid Traditional Name: 2-(benzoxysulfinylamino)-3-(8-guanidinooctanoylamino)propionic acid Formula: C19H31N5O5S MolecularWeight: 441.54494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N5O5S/c20-19(21)22-12-8-3-1-2-7-11-17(25)23-13-16(18(26)27)24-30(28)29-14-15-9-5-4-6-10-15/h4-6,9-10,16,24H,1-3,7-8,11-14H2,(H,23,25)(H,26,27)(H4,20,21,22)