[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-ethyl-amino]methylboronic acid

Systemtic Name: [[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-ethyl-amino]methylboronic acid Openeye Name: [[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-ethyl-amino]methylboronic acid CAS Name: [[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-ethylamino]methylboronic acid IUPAC Name: [[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-ethylamino]methylboronic acid Traditional Name: [[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-ethyl-amino]methylboronic acid Formula: C14H20BN3O3 MolecularWeight: 289.1379

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Descriptors Computed from Structure

Canonical SMILES:

B(CN(CC)C(=O)C(CC1=CNC2=CC=CC=C21)N)(O)O

Isomeric SMILES

B(CN(CC)C(=O)[C@H](CC1=CNC2=CC=CC=C21)N)(O)O

InChI

InChI=1S/C14H20BN3O3/c1-2-18(9-15(20)21)14(19)12(16)7-10-8-17-13-6-4-3-5-11(10)13/h3-6,8,12,17,20-21H,2,7,9,16H2,1H3/t12-/m0/s1