tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-2,2-bis(fluoranyl)-6-methyl-1-[[3-methyl-2-[(phenylmethyl)carbamoyl]butanoyl]amino]-3-oxidanylidene-heptan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-2,2-bis(fluoranyl)-6-methyl-1-[[3-methyl-2-[(phenylmethyl)carbamoyl]butanoyl]amino]-3-oxidanylidene-heptan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-4-[[2-(benzylcarbamoyl)-3-methyl-butanoyl]amino]-3,3-difluoro-1-isobutyl-2-oxo-butyl]carbamoyl]butyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(4S)-2,2-difluoro-6-methyl-1-[[3-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methyl]butyl]amino]-3-oxoheptan-4-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-6-methyl-3-oxoheptan-4-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-4-[[2-(benzylcarbamoyl)-3-methyl-butanoyl]amino]-3,3-difluoro-1-isobutyl-2-keto-butyl]carbamoyl]butyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C40H57F2N5O7 MolecularWeight: 757.906686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC(C)C)C(=O)C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H57F2N5O7/c1-9-16-29(45-35(50)31(22-27-17-12-10-13-18-27)47-38(53)54-39(6,7)8)34(49)46-30(21-25(2)3)33(48)40(41,42)24-44-37(52)32(26(4)5)36(51)43-23-28-19-14-11-15-20-28/h10-15,17-20,25-26,29-32H,9,16,21-24H2,1-8H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)(H,47,53)/t29-,30-,31-,32?/m0/s1