methyl 4-[[(2S,3S)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[(2S,3S)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[(2S,3S)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoate CAS Name: 4-[[[(2S,3S)-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S,3S)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoate Traditional Name: 4-[[(2S,3S)-3-[[3-(methylthio)phenyl]carbamoylamino]-1-pyrazinoyl-prolyl]amino]butyric acid methyl ester Formula: C23H28N6O5S MolecularWeight: 500.57062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1C(CCN1C(=O)C2=NC=CN=C2)NC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O5S/c1-34-19(30)7-4-9-26-21(31)20-17(8-12-29(20)22(32)18-14-24-10-11-25-18)28-23(33)27-15-5-3-6-16(13-15)35-2/h3,5-6,10-11,13-14,17,20H,4,7-9,12H2,1-2H3,(H,26,31)(H2,27,28,33)/t17-,20-/m0/s1