(2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]pentanedioic acid dihydrate

Systemtic Name: (2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]pentanedioic acid dihydrate Openeye Name: (2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]pentanedioic acid dihydrate CAS Name: (2R)-2-[[(2R)-2-acetamido-1-oxo-3-phenylpropyl]amino]pentanedioic acid dihydrate IUPAC Name: (2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]pentanedioic acid dihydrate Traditional Name: (2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]glutaric acid dihydrate Formula: C16H24N2O8 MolecularWeight: 372.37036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)O.O.O

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CCC(=O)O)C(=O)O.O.O

InChI

InChI=1S/C16H20N2O6.2H2O/c1-10(19)17-13(9-11-5-3-2-4-6-11)15(22)18-12(16(23)24)7-8-14(20)21;;/h2-6,12-13H,7-9H2,1H3,(H,17,19)(H,18,22)(H,20,21)(H,23,24);2*1H2/t12-,13-;;/m1../s1