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

Systemtic Name: methyl (2R)-3-methyl-2-[[(2S,3S)-3-(prop-2-enylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]butanoate Openeye Name: methyl (2R)-2-[[(2S,3S)-3-(allylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoate CAS Name: (2R)-3-methyl-2-[[oxo-[(2S,3S)-3-[[oxo-(prop-2-enylamino)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-(prop-2-enylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoate Traditional Name: (2R)-2-[[(2S,3S)-3-(allylcarbamoylamino)-1-pyrazinoyl-prolyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H28N6O5/c1-5-7-23-20(30)24-13-6-10-26(18(28)14-11-21-8-9-22-14)16(13)17(27)25-15(12(2)3)19(29)31-4/h5,8-9,11-13,15-16H,1,6-7,10H2,2-4H3,(H,25,27)(H2,23,24,30)/t13-,15+,16-/m0/s1