3-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-4-yl]carbonylamino]-4,4-bis(fluoranyl)butanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-4-yl]carbonylamino]-4,4-bis(fluoranyl)butanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carbonyl]amino]-4,4-difluoro-butanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[[[(1-methylcyclohexyl)amino]-oxomethyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-4-yl]-oxomethyl]amino]-4,4-difluoro-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carbonyl]amino]-4,4-difluorobutanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carbonyl]amino]-4,4-difluoro-butanoyl]amino]propionic acid Formula: C29H47F2N5O6 MolecularWeight: 599.710186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)NC(CC(F)F)C(=O)NCCC(=O)O)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCC(=O)O)C

InChI

InChI=1S/C29H47F2N5O6/c1-27(2,3)22(34-26(42)35-29(6)11-8-7-9-12-29)25(41)36-15-16-20(28(16,4)5)21(36)24(40)33-17(14-18(30)31)23(39)32-13-10-19(37)38/h16-18,20-22H,7-15H2,1-6H3,(H,32,39)(H,33,40)(H,37,38)(H2,34,35,42)/t16-,17-,20-,21-,22+/m0/s1