(3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-azanylcyclopentyl]carbonylamino]cyclopentyl]carbonylamino]butanoyl]amino]pyrrolidin-3-yl]carbonylamino]butanoyl]amino]pyrrolidin-3-yl]carbonylamino]pyrrolidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]pyrrolidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]pyrrolidin-3-yl]carbonylamino]pyrrolidine-3-carboxamide

Systemtic Name: (3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-azanylcyclopentyl]carbonylamino]cyclopentyl]carbonylamino]butanoyl]amino]pyrrolidin-3-yl]carbonylamino]butanoyl]amino]pyrrolidin-3-yl]carbonylamino]pyrrolidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]pyrrolidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]pyrrolidin-3-yl]carbonylamino]pyrrolidine-3-carboxamide Openeye Name: (3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-aminocyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carboxamide CAS Name: (3S,4R)-4-[[[(3S,4R)-4-[[(3S)-3-[[[(3S,4R)-4-[[(3S)-3-[[[(3S,4R)-4-[[[(3S,4R)-4-[[(3S)-3-[[[(3S,4R)-4-[[(3S)-3-[[[(1S,2S)-2-[[[(1S,2S)-2-aminocyclopentyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]-1-oxobutyl]amino]-3-pyrrolidinyl]-oxomethyl]amino]-1-oxobutyl]amino]-3-pyrrolidinyl]-oxomethyl]amino]-3-pyrrolidinyl]-oxomethyl]amino]-5-methyl-1-oxohexyl]amino]-3-pyrrolidinyl]-oxomethyl]amino]-5-methyl-1-oxohexyl]amino]-3-pyrrolidinyl]-oxomethyl]amino]-3-pyrrolidinecarboxamide IUPAC Name: (3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-aminocyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-5-methylhexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methylhexanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carboxamide Traditional Name: (3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S,4R)-4-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-aminocyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]butanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]pyrrolidine-3-carboxamide Formula: C64H109N19O12 MolecularWeight: 1336.67036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NC1CNCC1C(=O)NC2CNCC2C(=O)N)NC(=O)C3CNCC3NC(=O)CC(CC(C)C)NC(=O)C4CNCC4NC(=O)C5CNCC5NC(=O)CC(C)NC(=O)C6CNCC6NC(=O)CC(C)NC(=O)C7CCCC7NC(=O)C8CCCC8N

Isomeric SMILES

C[C@@H](CC(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](C)CC(=O)N[C@H]2CNC[C@@H]2C(=O)N[C@H]3CNC[C@@H]3C(=O)N[C@@H](CC(C)C)CC(=O)N[C@H]4CNC[C@@H]4C(=O)N[C@@H](CC(C)C)CC(=O)N[C@H]5CNC[C@@H]5C(=O)N[C@H]6CNC[C@@H]6C(=O)N)NC(=O)[C@H]7CCC[C@@H]7NC(=O)[C@H]8CCC[C@@H]8N

InChI

InChI=1S/C64H109N19O12/c1-31(2)13-35(17-56(87)80-51-29-71-23-43(51)63(94)82-47-25-67-19-39(47)57(66)88)75-61(92)41-21-69-27-49(41)79-55(86)18-36(14-32(3)4)76-62(93)44-24-72-30-52(44)83-64(95)42-22-70-28-50(42)78-54(85)16-34(6)74-60(91)40-20-68-26-48(40)77-53(84)15-33(5)73-59(90)38-10-8-12-46(38)81-58(89)37-9-7-11-45(37)65/h31-52,67-72H,7-30,65H2,1-6H3,(H2,66,88)(H,73,90)(H,74,91)(H,75,92)(H,76,93)(H,77,84)(H,78,85)(H,79,86)(H,80,87)(H,81,89)(H,82,94)(H,83,95)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1