(2S)-2-[[(2R)-5-cyano-2-methyl-4-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxo-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2R)-5-cyano-2-methyl-1,4-dioxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxopentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2R)-5-cyano-4-keto-2-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-11(9-13(19)7-8-17)15(20)18-14(16(21)22)10-12-5-3-2-4-6-12/h2-6,11,14H,7,9-10H2,1H3,(H,18,20)(H,21,22)/t11-,14+/m1/s1