(2R)-2-[[(2R)-2-(3-oxidanylidenebutanoylamino)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[(2R)-2-(3-oxidanylidenebutanoylamino)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[(2R)-2-(3-oxobutanoylamino)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[(2R)-2-(1,3-dioxobutylamino)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[(2R)-2-(3-oxobutanoylamino)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[(2R)-2-(acetoacetylamino)propanoyl]amino]-3-phenyl-propionic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CC(=O)C

Isomeric SMILES

C[C@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O)NC(=O)CC(=O)C

InChI

InChI=1S/C16H20N2O5/c1-10(19)8-14(20)17-11(2)15(21)18-13(16(22)23)9-12-6-4-3-5-7-12/h3-7,11,13H,8-9H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t11-,13-/m1/s1