methyl (2S)-2-(2-acetamidoethanoylamino)-3-phenyl-propanoate hydrate

Systemtic Name: methyl (2S)-2-(2-acetamidoethanoylamino)-3-phenyl-propanoate hydrate Openeye Name: methyl (2S)-2-[(2-acetamidoacetyl)amino]-3-phenyl-propanoate hydrate CAS Name: (2S)-2-[(2-acetamido-1-oxoethyl)amino]-3-phenylpropanoic acid methyl ester hydrate IUPAC Name: methyl (2S)-2-[(2-acetamidoacetyl)amino]-3-phenylpropanoate hydrate Traditional Name: (2S)-2-[(2-acetamidoacetyl)amino]-3-phenyl-propionic acid methyl ester hydrate Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC.O

Isomeric SMILES

CC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC.O

InChI

InChI=1S/C14H18N2O4.H2O/c1-10(17)15-9-13(18)16-12(14(19)20-2)8-11-6-4-3-5-7-11;/h3-7,12H,8-9H2,1-2H3,(H,15,17)(H,16,18);1H2/t12-;/m0./s1