(2S)-3-(4-aminophenyl)-2-azanyl-propanoic acid hydrate dihydrochloride

Systemtic Name: (2S)-3-(4-aminophenyl)-2-azanyl-propanoic acid hydrate dihydrochloride Openeye Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acid hydrate dihydrochloride CAS Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acid hydrate dihydrochloride IUPAC Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acid hydrate dihydrochloride Traditional Name: (2S)-2-amino-3-(4-aminophenyl)propionic acid hydrate dihydrochloride Formula: C18H28Cl2N4O5 MolecularWeight: 451.34472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)N.C1=CC(=CC=C1CC(C(=O)O)N)N.O.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)N.C1=CC(=CC=C1C[C@@H](C(=O)O)N)N.O.Cl.Cl

InChI

InChI=1S/2C9H12N2O2.2ClH.H2O/c2*10-7-3-1-6(2-4-7)5-8(11)9(12)13;;;/h2*1-4,8H,5,10-11H2,(H,12,13);2*1H;1H2/t2*8-;;;/m00.../s1