methyl (2S)-6-azanyl-2-(2-benzamidoethanoylamino)hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-(2-benzamidoethanoylamino)hexanoate Openeye Name: methyl (2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoate CAS Name: (2S)-6-amino-2-[(2-benzamido-1-oxoethyl)amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoate Traditional Name: (2S)-6-amino-2-(hippuroylamino)hexanoic acid methyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCCCN)NC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H23N3O4/c1-23-16(22)13(9-5-6-10-17)19-14(20)11-18-15(21)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,17H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1