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

Systemtic Name: methyl (2R)-3-methyl-2-[[(2S,3S)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]butanoate Openeye Name: methyl (2R)-3-methyl-2-[[(2S,3S)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoate CAS Name: (2R)-3-methyl-2-[[[(2S,3S)-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-3-methyl-2-[[(2S,3S)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoate Traditional Name: (2R)-3-methyl-2-[[(2S,3S)-3-[[3-(methylthio)phenyl]carbamoylamino]-1-pyrazinoyl-prolyl]amino]butyric acid methyl ester Formula: C24H30N6O5S MolecularWeight: 514.5972

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)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NC(=O)[C@@H]1[C@H](CCN1C(=O)C2=NC=CN=C2)NC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C24H30N6O5S/c1-14(2)19(23(33)35-3)29-21(31)20-17(8-11-30(20)22(32)18-13-25-9-10-26-18)28-24(34)27-15-6-5-7-16(12-15)36-4/h5-7,9-10,12-14,17,19-20H,8,11H2,1-4H3,(H,29,31)(H2,27,28,34)/t17-,19+,20-/m0/s1