methyl (2R)-1-[(2S,4S)-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[(2S,4S)-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2R)-1-[(2S,4S)-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[[(2S,4S)-4-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(2S,4S)-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S,4S)-4-[[3-(methylthio)phenyl]carbamoylamino]-1-pyrazinoyl-prolyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C24H28N6O5S MolecularWeight: 512.58132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2CC(CN2C(=O)C3=NC=CN=C3)NC(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

COC(=O)[C@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)C3=NC=CN=C3)NC(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C24H28N6O5S/c1-35-23(33)19-7-4-10-29(19)22(32)20-12-16(14-30(20)21(31)18-13-25-8-9-26-18)28-24(34)27-15-5-3-6-17(11-15)36-2/h3,5-6,8-9,11,13,16,19-20H,4,7,10,12,14H2,1-2H3,(H2,27,28,34)/t16-,19+,20-/m0/s1