3,6-bis(azanyl)-2-oxidanyl-2-phenyl-heptanedioic acid

Systemtic Name: 3,6-bis(azanyl)-2-oxidanyl-2-phenyl-heptanedioic acid Openeye Name: 3,6-diamino-2-hydroxy-2-phenyl-heptanedioic acid CAS Name: 3,6-diamino-2-hydroxy-2-phenylheptanedioic acid IUPAC Name: 3,6-diamino-2-hydroxy-2-phenylheptanedioic acid Traditional Name: 3,6-diamino-2-hydroxy-2-phenyl-pimelic acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5/c14-9(11(16)17)6-7-10(15)13(20,12(18)19)8-4-2-1-3-5-8/h1-5,9-10,20H,6-7,14-15H2,(H,16,17)(H,18,19)