methyl (2R)-3-methyl-2-[[(2S,3S)-3-(propan-2-ylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]butanoate

Systemtic Name: methyl (2R)-3-methyl-2-[[(2S,3S)-3-(propan-2-ylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]butanoate Openeye Name: methyl (2R)-2-[[(2S,3S)-3-(isopropylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoate CAS Name: (2R)-3-methyl-2-[[oxo-[(2S,3S)-3-[[oxo-(propan-2-ylamino)methyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-3-methyl-2-[[(2S,3S)-3-(propan-2-ylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoate Traditional Name: (2R)-2-[[(2S,3S)-3-(isopropylcarbamoylamino)-1-pyrazinoyl-prolyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H30N6O5 MolecularWeight: 434.4894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1C(CCN1C(=O)C2=NC=CN=C2)NC(=O)NC(C)C

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NC(=O)[C@@H]1[C@H](CCN1C(=O)C2=NC=CN=C2)NC(=O)NC(C)C

InChI

InChI=1S/C20H30N6O5/c1-11(2)15(19(29)31-5)25-17(27)16-13(24-20(30)23-12(3)4)6-9-26(16)18(28)14-10-21-7-8-22-14/h7-8,10-13,15-16H,6,9H2,1-5H3,(H,25,27)(H2,23,24,30)/t13-,15+,16-/m0/s1