ethyl (3S)-1-[6-[[(2R)-2-azanylpropanoyl]amino]pyridin-3-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[6-[[(2R)-2-azanylpropanoyl]amino]pyridin-3-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[6-[[(2R)-2-aminopropanoyl]amino]-3-pyridyl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-[[(2R)-2-amino-1-oxopropyl]amino]-3-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[6-[[(2R)-2-aminopropanoyl]amino]pyridin-3-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6-[[(2R)-2-aminopropanoyl]amino]-3-pyridyl]nipecotic acid ethyl ester Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CN=C(C=C2)NC(=O)C(C)N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=CN=C(C=C2)NC(=O)[C@@H](C)N

InChI

InChI=1S/C16H24N4O3/c1-3-23-16(22)12-5-4-8-20(10-12)13-6-7-14(18-9-13)19-15(21)11(2)17/h6-7,9,11-12H,3-5,8,10,17H2,1-2H3,(H,18,19,21)/t11-,12+/m1/s1