methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-[3,5-bis(fluoranyl)phenyl]-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]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-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]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-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]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-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]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-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]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-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C46H56F2N6O9 MolecularWeight: 874.968446

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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)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)[C@H](C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C46H56F2N6O9/c1-24(2)38(43(58)53-39(25(3)4)45(60)62-7)52-42(57)37-17-12-18-54(37)44(59)36(21-28-19-29(47)22-30(48)20-28)51-41(56)26(5)49-40(55)27(6)50-46(61)63-23-35-33-15-10-8-13-31(33)32-14-9-11-16-34(32)35/h8-11,13-16,19-20,22,24-27,35-39H,12,17-18,21,23H2,1-7H3,(H,49,55)(H,50,61)(H,51,56)(H,52,57)(H,53,58)/t26-,27-,36-,37-,38-,39-/m0/s1