3-[[2-azanyl-3-[2-azanyl-3-oxidanylidene-3-(3-sulfopropylamino)propoxy]propanoyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-azanyl-3-[2-azanyl-3-oxidanylidene-3-(3-sulfopropylamino)propoxy]propanoyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-amino-3-[2-amino-3-oxo-3-(3-sulfopropylamino)propoxy]propanoyl]amino]propane-1-sulfonic acid CAS Name: 3-[[2-amino-3-[2-amino-3-oxo-3-(3-sulfopropylamino)propoxy]-1-oxopropyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[2-amino-3-[2-amino-3-oxo-3-(3-sulfopropylamino)propoxy]propanoyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-amino-3-[2-amino-3-keto-3-(3-sulfopropylamino)propoxy]propanoyl]amino]propane-1-sulfonic acid Formula: C12H26N4O9S2 MolecularWeight: 434.48624

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)C(COCC(C(=O)NCCCS(=O)(=O)O)N)N)CS(=O)(=O)O

Isomeric SMILES

C(CNC(=O)C(COCC(C(=O)NCCCS(=O)(=O)O)N)N)CS(=O)(=O)O

InChI

InChI=1S/C12H26N4O9S2/c13-9(11(17)15-3-1-5-26(19,20)21)7-25-8-10(14)12(18)16-4-2-6-27(22,23)24/h9-10H,1-8,13-14H2,(H,15,17)(H,16,18)(H,19,20,21)(H,22,23,24)