(2S,3S)-N-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-(2-amino-2-oxo-ethyl)-N-methyl-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-(2-amino-2-oxoethyl)-N-methyl-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-(2-amino-2-oxoethyl)-N-methyl-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-(2-amino-2-keto-ethyl)-N-methyl-3-[[3-(methylthio)phenyl]carbamoylamino]-1-pyrazinoyl-pyrrolidine-2-carboxamide Formula: C21H25N7O4S MolecularWeight: 471.5327

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N)C(=O)C1C(CCN1C(=O)C2=NC=CN=C2)NC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O4S/c1-27(12-17(22)29)20(31)18-15(6-9-28(18)19(30)16-11-23-7-8-24-16)26-21(32)25-13-4-3-5-14(10-13)33-2/h3-5,7-8,10-11,15,18H,6,9,12H2,1-2H3,(H2,22,29)(H2,25,26,32)/t15-,18-/m0/s1