ethyl (3S)-1-[3-[2-methylpropyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[2-methylpropyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[isobutyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[2-methylpropyl-[(5-methyl-2-pyrazinyl)-oxomethyl]amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[2-methylpropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[isobutyl-(5-methylpyrazinoyl)amino]propanoyl]nipecotic acid ethyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC(C)C)C(=O)C2=CN=C(C=N2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN(CC(C)C)C(=O)C2=CN=C(C=N2)C

InChI

InChI=1S/C21H32N4O4/c1-5-29-21(28)17-7-6-9-24(14-17)19(26)8-10-25(13-15(2)3)20(27)18-12-22-16(4)11-23-18/h11-12,15,17H,5-10,13-14H2,1-4H3/t17-/m0/s1