N-[(2S)-5-azanyl-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[(2S)-5-azanyl-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1S)-4-amino-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]butyl]-2-methoxy-benzamide CAS Name: N-[(2S)-5-amino-1-[(2S)-2-cyano-1-pyrrolidinyl]-1-oxopentan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(2S)-5-amino-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopentan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1S)-4-amino-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]butyl]-2-methoxy-benzamide Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCCN)C(=O)N2CCCC2C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@@H](CCCN)C(=O)N2CCC[C@H]2C#N

InChI

InChI=1S/C18H24N4O3/c1-25-16-9-3-2-7-14(16)17(23)21-15(8-4-10-19)18(24)22-11-5-6-13(22)12-20/h2-3,7,9,13,15H,4-6,8,10-11,19H2,1H3,(H,21,23)/t13-,15-/m0/s1