calcium (2R)-5-azanyl-2-(1H-indol-3-ylmethyl)-2-oxidanyl-hexanedioate

Systemtic Name: calcium (2R)-5-azanyl-2-(1H-indol-3-ylmethyl)-2-oxidanyl-hexanedioate Openeye Name: calcium (2R)-5-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)hexanedioate CAS Name: calcium (2R)-5-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)hexanedioate IUPAC Name: calcium (2R)-5-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)hexanedioate Traditional Name: calcium (2R)-5-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)adipate Formula: C15H16CaN2O5 MolecularWeight: 344.37594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5.Ca/c16-11(13(18)19)5-6-15(22,14(20)21)7-9-8-17-12-4-2-1-3-10(9)12;/h1-4,8,11,17,22H,5-7,16H2,(H,18,19)(H,20,21);/q;+2/p-2/t11?,15-;/m1./s1