calcium (2S)-2-azanyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: calcium (2S)-2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: calcium (2S)-2-amino-3-(1H-indol-3-yl)propanoate CAS Name: calcium (2S)-2-amino-3-(1H-indol-3-yl)propanoate IUPAC Name: calcium (2S)-2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: calcium (2S)-2-amino-3-(1H-indol-3-yl)propionate Formula: C22H22CaN4O4 MolecularWeight: 446.51248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])N.[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])N.[Ca+2]

InChI

InChI=1S/2C11H12N2O2.Ca/c2*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h2*1-4,6,9,13H,5,12H2,(H,14,15);/q;;+2/p-2/t2*9-;/m00./s1