(2S)-2-azanylbutanedioic acid; (2S)-2-azanyl-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-azanylbutanedioic acid; (2S)-2-azanyl-3-phenyl-propanoic acid Openeye Name: (2S)-2-aminobutanedioic acid; (2S)-2-amino-3-phenyl-propanoic acid CAS Name: (2S)-2-aminobutanedioic acid; (2S)-2-amino-3-phenylpropanoic acid IUPAC Name: (2S)-2-aminobutanedioic acid; (2S)-2-amino-3-phenylpropanoic acid Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; (2S)-2-aminosuccinic acid Formula: C17H25N3O10 MolecularWeight: 431.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.2C4H7NO4/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*5-2(4(8)9)1-3(6)7/h1-5,8H,6,10H2,(H,11,12);2*2H,1,5H2,(H,6,7)(H,8,9)/t8-;2*2-/m000/s1