methyl (2R)-3-(1H-indol-3-yl)-2-[(1-pyrazin-2-ylpiperidin-3-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-pyrazin-2-ylpiperidin-3-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-pyrazin-2-ylpiperidine-3-carbonyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[1-(2-pyrazinyl)-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-pyrazin-2-ylpiperidine-3-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(1-pyrazin-2-ylnipecotoyl)amino]propionic acid methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN(C3)C4=NC=CN=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN(C3)C4=NC=CN=C4

InChI

InChI=1S/C22H25N5O3/c1-30-22(29)19(11-16-12-25-18-7-3-2-6-17(16)18)26-21(28)15-5-4-10-27(14-15)20-13-23-8-9-24-20/h2-3,6-9,12-13,15,19,25H,4-5,10-11,14H2,1H3,(H,26,28)/t15?,19-/m1/s1