(2S)-2-[[(3S)-2-oxidanylidene-3-(2-phenylethanoylamino)butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(3S)-2-oxidanylidene-3-(2-phenylethanoylamino)butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(3S)-2-oxo-3-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(3S)-1,2-dioxo-3-[(1-oxo-2-phenylethyl)amino]butyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(3S)-2-oxo-3-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(3S)-2-keto-3-[(2-phenylacetyl)amino]butanoyl]amino]propionic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-9(13(19)14(20)17-10(2)15(21)22)16-12(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)/t9-,10-/m0/s1