(2S,4S)-N-[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-N-[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-N-[(1R)-2-amino-1-benzyl-2-oxo-ethyl]-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-N-[(1R)-2-amino-1-benzyl-2-keto-ethyl]-4-[[3-(methylthio)phenyl]carbamoylamino]-1-pyrazinoyl-pyrrolidine-2-carboxamide Formula: C27H29N7O4S MolecularWeight: 547.62866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2CC(N(C2)C(=O)C3=NC=CN=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N[C@H]2C[C@H](N(C2)C(=O)C3=NC=CN=C3)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C27H29N7O4S/c1-39-20-9-5-8-18(13-20)31-27(38)32-19-14-23(34(16-19)26(37)22-15-29-10-11-30-22)25(36)33-21(24(28)35)12-17-6-3-2-4-7-17/h2-11,13,15,19,21,23H,12,14,16H2,1H3,(H2,28,35)(H,33,36)(H2,31,32,38)/t19-,21+,23-/m0/s1