4-azanyl-2-formamido-3-oxidanylidene-2-(phenylmethyl)hexanedioic acid

Systemtic Name: 4-azanyl-2-formamido-3-oxidanylidene-2-(phenylmethyl)hexanedioic acid Openeye Name: 4-amino-2-benzyl-2-formamido-3-oxo-hexanedioic acid CAS Name: 4-amino-2-formamido-3-oxo-2-(phenylmethyl)hexanedioic acid IUPAC Name: 4-amino-2-benzyl-2-formamido-3-oxohexanedioic acid Traditional Name: 4-amino-2-benzyl-2-formamido-3-keto-adipic acid Formula: C14H16N2O6 MolecularWeight: 308.28664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c15-10(6-11(18)19)12(20)14(13(21)22,16-8-17)7-9-4-2-1-3-5-9/h1-5,8,10H,6-7,15H2,(H,16,17)(H,18,19)(H,21,22)