(2S)-1-[(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)O)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)O)N)C#N

InChI

InChI=1S/C16H18N4O2/c17-8-11-2-1-5-20(11)16(22)14(18)6-10-9-19-15-4-3-12(21)7-13(10)15/h3-4,7,9,11,14,19,21H,1-2,5-6,18H2/t11-,14-/m0/s1