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

Systemtic Name: 4-azanyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)pentane-1,2,5-tricarboxylic acid Openeye Name: 4-amino-2-(benzyloxycarbonylamino)-3-oxo-pentane-1,2,5-tricarboxylic acid CAS Name: 4-amino-3-oxo-2-(phenylmethoxycarbonylamino)pentane-1,2,5-tricarboxylic acid IUPAC Name: 4-amino-3-oxo-2-(phenylmethoxycarbonylamino)pentane-1,2,5-tricarboxylic acid Traditional Name: 4-amino-2-(benzyloxycarbonylamino)-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)NC(CC(=O)O)(C(=O)C(CC(=O)O)N)C(=O)O

Isomeric SMILES

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

InChI

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