[(2S,3R)-1-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]azanium chloride

Systemtic Name: [(2S,3R)-1-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]azanium chloride Openeye Name: [(1S,2R)-1-[4-[(2,3-dihydroxybenzoyl)amino]butyl-[3-[(2,3-dihydroxybenzoyl)amino]propyl]carbamoyl]-2-hydroxy-propyl]ammonium chloride CAS Name: [(2S,3R)-1-[4-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]butyl-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl]amino]-3-hydroxy-1-oxobutan-2-yl]ammonium chloride IUPAC Name: [(2S,3R)-1-[4-[(2,3-dihydroxybenzoyl)amino]butyl-[3-[(2,3-dihydroxybenzoyl)amino]propyl]amino]-3-hydroxy-1-oxobutan-2-yl]azanium chloride Traditional Name: [(1S,2R)-1-[4-[(2,3-dihydroxybenzoyl)amino]butyl-[3-[(2,3-dihydroxybenzoyl)amino]propyl]carbamoyl]-2-hydroxy-propyl]ammonium chloride Formula: C25H35ClN4O8 MolecularWeight: 555.0204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(CCCCNC(=O)C1=C(C(=CC=C1)O)O)CCCNC(=O)C2=C(C(=CC=C2)O)O)[NH3+])O.[Cl-]

Isomeric SMILES

C[C@H]([C@@H](C(=O)N(CCCCNC(=O)C1=C(C(=CC=C1)O)O)CCCNC(=O)C2=C(C(=CC=C2)O)O)[NH3+])O.[Cl-]

InChI

InChI=1S/C25H34N4O8.ClH/c1-15(30)20(26)25(37)29(14-6-12-28-24(36)17-8-5-10-19(32)22(17)34)13-3-2-11-27-23(35)16-7-4-9-18(31)21(16)33;/h4-5,7-10,15,20,30-34H,2-3,6,11-14,26H2,1H3,(H,27,35)(H,28,36);1H/t15-,20+;/m1./s1