(2S,5S)-1-[(2S)-2-azanyl-3-methyl-pentanoyl]-5-phenyl-pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-1-[(2S)-2-azanyl-3-methyl-pentanoyl]-5-phenyl-pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-1-[(2S)-2-amino-3-methyl-pentanoyl]-5-phenyl-pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-1-[(2S)-2-amino-3-methyl-1-oxopentyl]-5-phenyl-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-1-[(2S)-2-amino-3-methylpentanoyl]-5-phenylpyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-1-[(2S)-2-amino-3-methyl-pentanoyl]-5-phenyl-pyrrolidine-2-carbonitrile Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1C(CCC1C2=CC=CC=C2)C#N)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1[C@@H](CC[C@H]1C2=CC=CC=C2)C#N)N

InChI

InChI=1S/C17H23N3O/c1-3-12(2)16(19)17(21)20-14(11-18)9-10-15(20)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-10,19H2,1-2H3/t12?,14-,15-,16-/m0/s1