methyl (2S)-2-(2-benzamidoethanoylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-(2-benzamidoethanoylamino)-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[(2-benzamidoacetyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[(2-benzamido-1-oxoethyl)amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzamidoacetyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-(hippuroylamino)-3-hydroxy-propionic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-20-13(19)10(8-16)15-11(17)7-14-12(18)9-5-3-2-4-6-9/h2-6,10,16H,7-8H2,1H3,(H,14,18)(H,15,17)/t10-/m0/s1