(2S)-2-azanylbutanedioic acid; (2S)-1-phenylpropan-2-amine; hydrate

Systemtic Name: (2S)-2-azanylbutanedioic acid; (2S)-1-phenylpropan-2-amine; hydrate Openeye Name: (2S)-2-aminobutanedioic acid; (2S)-1-phenylpropan-2-amine; hydrate CAS Name: (2S)-2-aminobutanedioic acid; (2S)-1-phenyl-2-propanamine; hydrate IUPAC Name: (2S)-2-aminobutanedioic acid; (2S)-1-phenylpropan-2-amine; hydrate Traditional Name: (2S)-2-aminosuccinic acid; [(1S)-1-methyl-2-phenyl-ethyl]amine; hydrate Formula: C13H22N2O5 MolecularWeight: 286.32418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N.C(C(C(=O)O)N)C(=O)O.O

Isomeric SMILES

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

InChI

InChI=1S/C9H13N.C4H7NO4.H2O/c1-8(10)7-9-5-3-2-4-6-9;5-2(4(8)9)1-3(6)7;/h2-6,8H,7,10H2,1H3;2H,1,5H2,(H,6,7)(H,8,9);1H2/t8-;2-;/m00./s1