(2S,3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-[(1S)-2-amino-2-oxo-1-(2-thienylmethyl)ethyl]-3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-[[(cyclohexylamino)-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-[(1S)-2-amino-2-keto-1-(2-thenyl)ethyl]-3-(cyclohexylcarbamoylamino)-1-pyrazinoyl-pyrrolidine-2-carboxamide Formula: C24H31N7O4S MolecularWeight: 513.61244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2CCN(C2C(=O)NC(CC3=CC=CS3)C(=O)N)C(=O)C4=NC=CN=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)N[C@H]2CCN([C@@H]2C(=O)N[C@@H](CC3=CC=CS3)C(=O)N)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C24H31N7O4S/c25-21(32)18(13-16-7-4-12-36-16)29-22(33)20-17(30-24(35)28-15-5-2-1-3-6-15)8-11-31(20)23(34)19-14-26-9-10-27-19/h4,7,9-10,12,14-15,17-18,20H,1-3,5-6,8,11,13H2,(H2,25,32)(H,29,33)(H2,28,30,35)/t17-,18-,20-/m0/s1