(2S,4S,6S)-2-benzamido-4,6-bis(oxidanyl)heptanedioic acid

Systemtic Name: (2S,4S,6S)-2-benzamido-4,6-bis(oxidanyl)heptanedioic acid Openeye Name: (2S,4S,6S)-2-benzamido-4,6-dihydroxy-heptanedioic acid CAS Name: (2S,4S,6S)-2-benzamido-4,6-dihydroxyheptanedioic acid IUPAC Name: (2S,4S,6S)-2-benzamido-4,6-dihydroxyheptanedioic acid Traditional Name: (2S,4S,6S)-2-benzamido-4,6-dihydroxy-pimelic acid Formula: C14H17NO7 MolecularWeight: 311.28728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](C[C@@H](C[C@@H](C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C14H17NO7/c16-9(7-11(17)14(21)22)6-10(13(19)20)15-12(18)8-4-2-1-3-5-8/h1-5,9-11,16-17H,6-7H2,(H,15,18)(H,19,20)(H,21,22)/t9-,10-,11-/m0/s1