(4S)-4-[6-[(5-azanyl-6-cyano-pyrazin-2-yl)methylamino]-3-oxidanylidene-1H-isoindol-2-yl]-5-ethoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[6-[(5-azanyl-6-cyano-pyrazin-2-yl)methylamino]-3-oxidanylidene-1H-isoindol-2-yl]-5-ethoxy-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[5-[(5-amino-6-cyano-pyrazin-2-yl)methylamino]-1-oxo-isoindolin-2-yl]-5-ethoxy-5-oxo-pentanoic acid CAS Name: (4S)-4-[6-[(5-amino-6-cyano-2-pyrazinyl)methylamino]-3-oxo-1H-isoindol-2-yl]-5-ethoxy-5-oxopentanoic acid IUPAC Name: (4S)-4-[6-[(5-amino-6-cyanopyrazin-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]-5-ethoxy-5-oxopentanoic acid Traditional Name: (4S)-4-[5-[(5-amino-6-cyano-pyrazin-2-yl)methylamino]-1-keto-isoindolin-2-yl]-5-ethoxy-5-keto-valeric acid Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)O)N1CC2=C(C1=O)C=CC(=C2)NCC3=CN=C(C(=N3)C#N)N

Isomeric SMILES

CCOC(=O)[C@H](CCC(=O)O)N1CC2=C(C1=O)C=CC(=C2)NCC3=CN=C(C(=N3)C#N)N

InChI

InChI=1S/C21H22N6O5/c1-2-32-21(31)17(5-6-18(28)29)27-11-12-7-13(3-4-15(12)20(27)30)24-9-14-10-25-19(23)16(8-22)26-14/h3-4,7,10,17,24H,2,5-6,9,11H2,1H3,(H2,23,25)(H,28,29)/t17-/m0/s1