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(2S)-2-[[(2S,4R)-1-[2-[[2-[[(2S)-2-[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]-N-[(2R)-2-methyl-1-[(2S)-2-[[2-methyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidany

Systemtic Name:	(2S)-2-[[(2S,4R)-1-[2-[[2-[[(2S)-2-[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]-N-[(2R)-2-methyl-1-[(2S)-2-[[2-methyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidany
Openeye Name:	(2S)-2-[[(2S,4R)-1-[2-[[2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]-N-[(1R)-1-[(2S)-2-[[2-[(2S)-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]pyrrolidin-1-yl]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-1-methyl-propyl]pentanediamide
CAS Name:	(2S)-2-[[[(2S,4R)-1-[2-[[2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxopropyl]-4-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-N-[(2R)-1-[(2S)-2-[[[1-[(2S)-2-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrro
IUPAC Name:	(2S)-2-[[(2S,4R)-1-[2-[[2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[(2R)-1-[(2S)-2-[[1-[(2S)-2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide
Traditional Name:	(2S)-2-[[(2S,4R)-1-[2-[[2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]-4-hydroxy-prolyl]amino]-N-[(1R)-1-[(2S)-2-[[2-[(2S)-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]pyrrolidino]-2-keto-1,1-dimethyl-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-1-methyl-propyl]glutaramide
Formula:	C₈₂H₁₂₇N₁₇O₁₉
MolecularWeight:	1654.98828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)N2CCCC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)CO)O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C

Isomeric SMILES

CC[C@](C)(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@](C)(CC)C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)CO)O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C82H127N17O19/c1-20-81(18,96-70(114)78(12,13)94-69(113)77(10,11)93-67(111)75(6,7)90-63(107)55(85-48(5)101)42-50-32-26-23-27-33-50)71(115)84-44-60(104)87-54(40-47(3)4)62(106)89-76(8,9)68(112)95-80(16,17)73(117)99-45-52(102)43-58(99)65(109)88-53(36-37-59(83)103)61(105)92-82(19,21-2)74(118)98-39-29-35-57(98)66(110)91-79(14,15)72(116)97-38-28-34-56(97)64(108)86-51(46-100)41-49-30-24-22-25-31-49/h22-27,30-33,47,51-58,100,102H,20-21,28-29,34-46H2,1-19H3,(H2,83,103)(H,84,115)(H,85,101)(H,86,108)(H,87,104)(H,88,109)(H,89,106)(H,90,107)(H,91,110)(H,92,105)(H,93,111)(H,94,113)(H,95,112)(H,96,114)/t51-,52+,53-,54-,55-,56-,57-,58-,81+,82+/m0/s1

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