(2S,3S)-2-(2-benzamidoethanoylamino)-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3S)-2-(2-benzamidoethanoylamino)-3-oxidanyl-butanoic acid Openeye Name: (2S,3S)-2-[(2-benzamidoacetyl)amino]-3-hydroxy-butanoic acid CAS Name: (2S,3S)-2-[(2-benzamido-1-oxoethyl)amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3S)-2-[(2-benzamidoacetyl)amino]-3-hydroxybutanoic acid Traditional Name: (2S,3S)-2-(hippuroylamino)-3-hydroxy-butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-8(16)11(13(19)20)15-10(17)7-14-12(18)9-5-3-2-4-6-9/h2-6,8,11,16H,7H2,1H3,(H,14,18)(H,15,17)(H,19,20)/t8-,11-/m0/s1