(2S,3S)-N-[(2S)-1-azanyl-5-(3-methylbut-2-enoylamino)-1-oxidanylidene-pentan-2-yl]-3-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]-1-(3-methylbut-2-enoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[(2S)-1-azanyl-5-(3-methylbut-2-enoylamino)-1-oxidanylidene-pentan-2-yl]-3-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]-1-(3-methylbut-2-enoyl)pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-[(1S)-1-carbamoyl-4-(3-methylbut-2-enoylamino)butyl]-3-[(2,4-difluorophenyl)carbamoylamino]-1-(3-methylbut-2-enoyl)pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[(2S)-1-amino-5-[(3-methyl-1-oxobut-2-enyl)amino]-1-oxopentan-2-yl]-3-[[(2,4-difluoroanilino)-oxomethyl]amino]-1-(3-methyl-1-oxobut-2-enyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[(2S)-1-amino-5-(3-methylbut-2-enoylamino)-1-oxopentan-2-yl]-3-[(2,4-difluorophenyl)carbamoylamino]-1-(3-methylbut-2-enoyl)pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-[(1S)-1-carbamoyl-4-(3-methylbut-2-enoylamino)butyl]-3-[(2,4-difluorophenyl)carbamoylamino]-1-(3-methylbut-2-enoyl)pyrrolidine-2-carboxamide Formula: C27H36F2N6O5 MolecularWeight: 562.608746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCCCC(C(=O)N)NC(=O)C1C(CCN1C(=O)C=C(C)C)NC(=O)NC2=C(C=C(C=C2)F)F)C

Isomeric SMILES

CC(=CC(=O)NCCC[C@@H](C(=O)N)NC(=O)[C@@H]1[C@H](CCN1C(=O)C=C(C)C)NC(=O)NC2=C(C=C(C=C2)F)F)C

InChI

InChI=1S/C27H36F2N6O5/c1-15(2)12-22(36)31-10-5-6-21(25(30)38)32-26(39)24-20(9-11-35(24)23(37)13-16(3)4)34-27(40)33-19-8-7-17(28)14-18(19)29/h7-8,12-14,20-21,24H,5-6,9-11H2,1-4H3,(H2,30,38)(H,31,36)(H,32,39)(H2,33,34,40)/t20-,21-,24-/m0/s1