3-azanyl-4-bis[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)oxy]boranyloxy-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-bis[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)oxy]boranyloxy-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-bis[(2-amino-4-hydroxy-4-oxo-butanoyl)oxy]boranyloxy-4-oxo-butanoic acid CAS Name: 3-amino-4-bis(2-amino-4-hydroxy-1,4-dioxobutoxy)boranyloxy-4-oxobutanoic acid IUPAC Name: 3-amino-4-bis[(2-amino-4-hydroxy-4-oxobutanoyl)oxy]boranyloxy-4-oxobutanoic acid Traditional Name: 3-amino-4-bis[(2-amino-4-hydroxy-4-keto-butanoyl)oxy]boranyloxy-4-keto-butyric acid Formula: C12H18BN3O12 MolecularWeight: 407.09522

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C(CC(=O)O)N)(OC(=O)C(CC(=O)O)N)OC(=O)C(CC(=O)O)N

Isomeric SMILES

B(OC(=O)C(CC(=O)O)N)(OC(=O)C(CC(=O)O)N)OC(=O)C(CC(=O)O)N

InChI

InChI=1S/C12H18BN3O12/c14-4(1-7(17)18)10(23)26-13(27-11(24)5(15)2-8(19)20)28-12(25)6(16)3-9(21)22/h4-6H,1-3,14-16H2,(H,17,18)(H,19,20)(H,21,22)