(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,4R)-2-[[2-methyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamoyl]-4-oxidanyl-pyrrolidin-

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,4R)-2-[[2-methyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamoyl]-4-oxidanyl-pyrrolidin- 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,4R)-2-[[2-[(2S)-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]pyrrolidin-1-yl]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carbonyl]-1-methyl-propyl]p 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,4R)-4-hydroxy-2-[[[1-[(2S)-2-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-1-oxopropan-2-yl]amino]-oxome 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,4R)-4-hydroxy-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]pen 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,4R)-2-[[2-[(2S)-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]pyrrolidino]-2-keto-1,1-dimethyl-ethyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carbonyl]-1-methyl-propyl]glutaramide Formula: C82H127N17O20 MolecularWeight: 1670.98768

Click to see the large picture

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)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)CO)O)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)N2C[C@@H](C[C@H]2C(=O)NC(C)(C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)CO)O)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/C82H127N17O20/c1-20-81(18,96-70(115)78(12,13)94-69(114)77(10,11)93-67(112)75(6,7)90-63(108)55(85-47(5)101)39-49-31-26-23-27-32-49)71(116)84-42-60(105)87-54(37-46(3)4)62(107)89-76(8,9)68(113)95-80(16,17)73(118)98-43-51(102)40-57(98)65(110)88-53(34-35-59(83)104)61(106)92-82(19,21-2)74(119)99-44-52(103)41-58(99)66(111)91-79(14,15)72(117)97-36-28-33-56(97)64(109)86-50(45-100)38-48-29-24-22-25-30-48/h22-27,29-32,46,50-58,100,102-103H,20-21,28,33-45H2,1-19H3,(H2,83,104)(H,84,116)(H,85,101)(H,86,109)(H,87,105)(H,88,110)(H,89,107)(H,90,108)(H,91,111)(H,92,106)(H,93,112)(H,94,114)(H,95,113)(H,96,115)/t50-,51+,52+,53-,54-,55-,56-,57-,58-,81+,82+/m0/s1