(2S,3R)-2-(2-benzamidoethanoylamino)-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-(2-benzamidoethanoylamino)-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[(2-benzamidoacetyl)amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[(2-benzamido-1-oxoethyl)amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[(2-benzamidoacetyl)amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-(hippuroylamino)-3-methyl-valerate Formula: C15H19N2O4- MolecularWeight: 291.32236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-3-10(2)13(15(20)21)17-12(18)9-16-14(19)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/p-1/t10-,13+/m1/s1