2-azanyl-3-(5-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid hydrate

Systemtic Name: 2-azanyl-3-(5-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid hydrate Openeye Name: 2-amino-3-(5-methylindolin-3-yl)propanoic acid hydrate CAS Name: 2-amino-3-(5-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid hydrate IUPAC Name: 2-amino-3-(5-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid hydrate Traditional Name: 2-amino-3-(5-methylindolin-3-yl)propionic acid hydrate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NCC2CC(C(=O)O)N.O

Isomeric SMILES

CC1=CC2=C(C=C1)NCC2CC(C(=O)O)N.O

InChI

InChI=1S/C12H16N2O2.H2O/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;/h2-4,8,10,14H,5-6,13H2,1H3,(H,15,16);1H2