2,4-bis(azanyl)-3-oxidanylidene-1-phenylmethoxycarbonyl-pentane-1,2,5-tricarboxylic acid

Systemtic Name: 2,4-bis(azanyl)-3-oxidanylidene-1-phenylmethoxycarbonyl-pentane-1,2,5-tricarboxylic acid Openeye Name: 2,4-diamino-1-benzyloxycarbonyl-3-oxo-pentane-1,2,5-tricarboxylic acid CAS Name: 2,4-diamino-3-oxo-1-phenylmethoxycarbonylpentane-1,2,5-tricarboxylic acid IUPAC Name: 2,4-diamino-3-oxo-1-phenylmethoxycarbonylpentane-1,2,5-tricarboxylic acid Traditional Name: 2,4-diamino-1-carbobenzoxy-3-keto-pentane-1,2,5-tricarboxylic acid Formula: C16H18N2O9 MolecularWeight: 382.32212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(=O)O)C(C(=O)C(CC(=O)O)N)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C(=O)O)C(C(=O)C(CC(=O)O)N)(C(=O)O)N

InChI

InChI=1S/C16H18N2O9/c17-9(6-10(19)20)12(21)16(18,15(25)26)11(13(22)23)14(24)27-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7,17-18H2,(H,19,20)(H,22,23)(H,25,26)