methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-[3,5-bis(fluoranyl)phenyl]-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-[3,5-bis(fluoranyl)phenyl]-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(3,5-difluorophenyl)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C43H51F2N5O8 MolecularWeight: 803.890546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1CCCN1C(=O)C(CC2=CC(=CC(=C2)F)F)NC(=O)C(C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C43H51F2N5O8/c1-23(2)36(40(53)49-37(24(3)4)42(55)57-6)48-39(52)35-16-11-17-50(35)41(54)34(20-26-18-27(44)21-28(45)19-26)47-38(51)25(5)46-43(56)58-22-33-31-14-9-7-12-29(31)30-13-8-10-15-32(30)33/h7-10,12-15,18-19,21,23-25,33-37H,11,16-17,20,22H2,1-6H3,(H,46,56)(H,47,51)(H,48,52)(H,49,53)/t25-,34-,35-,36-,37-/m0/s1