methyl (2R)-1-[(2S,3S)-3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[(2S,3S)-3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2R)-1-[(2S,3S)-3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[[(2S,3S)-3-[[(cyclohexylamino)-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(2S,3S)-3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S,3S)-3-(cyclohexylcarbamoylamino)-1-pyrazinoyl-prolyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2C(CCN2C(=O)C3=NC=CN=C3)NC(=O)NC4CCCCC4

Isomeric SMILES

COC(=O)[C@H]1CCCN1C(=O)[C@@H]2[C@H](CCN2C(=O)C3=NC=CN=C3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C23H32N6O5/c1-34-22(32)18-8-5-12-28(18)21(31)19-16(27-23(33)26-15-6-3-2-4-7-15)9-13-29(19)20(30)17-14-24-10-11-25-17/h10-11,14-16,18-19H,2-9,12-13H2,1H3,(H2,26,27,33)/t16-,18+,19-/m0/s1