(2S,4S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-1-cyclopropylcarbonyl-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-1-cyclopropylcarbonyl-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-N-[(1S)-2-amino-2-oxo-1-(2-thienylmethyl)ethyl]-1-(cyclopropanecarbonyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-1-[cyclopropyl(oxo)methyl]-4-[[[3-(methylthio)anilino]-oxomethyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-1-(cyclopropanecarbonyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-N-[(1S)-2-amino-2-keto-1-(2-thenyl)ethyl]-1-(cyclopropanecarbonyl)-4-[[3-(methylthio)phenyl]carbamoylamino]pyrrolidine-2-carboxamide Formula: C24H29N5O4S2 MolecularWeight: 515.64816

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2CC(N(C2)C(=O)C3CC3)C(=O)NC(CC4=CC=CS4)C(=O)N

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N[C@H]2C[C@H](N(C2)C(=O)C3CC3)C(=O)N[C@@H](CC4=CC=CS4)C(=O)N

InChI

InChI=1S/C24H29N5O4S2/c1-34-17-5-2-4-15(10-17)26-24(33)27-16-11-20(29(13-16)23(32)14-7-8-14)22(31)28-19(21(25)30)12-18-6-3-9-35-18/h2-6,9-10,14,16,19-20H,7-8,11-13H2,1H3,(H2,25,30)(H,28,31)(H2,26,27,33)/t16-,19-,20-/m0/s1