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

Systemtic Name: (3S,4R)-4-[[(3R)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3R)-3-[[(3S)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-azanylcyclopentyl]carbonylamino]cyclopentyl]carbonylamino]-5-methyl-hexanoyl]amino]pyrrolidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-oxidanyl-butanoyl]amino]-5-methyl-hexanoyl]amino]pyrrolidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]-4-oxidanyl-butanoyl]amino]pyrrolidine-3-carboxamide Openeye Name: (3S,4R)-4-[[(3R)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3R)-3-[[(3S)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-aminocyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-hydroxy-butanoyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]-4-hydroxy-butanoyl]amino]pyrrolidine-3-carboxamide CAS Name: (3S,4R)-4-[[(3R)-3-[[(3S)-3-[[[(3S,4R)-4-[[(3S)-3-[[(3R)-3-[[(3S)-3-[[(3S)-3-[[[(3S,4R)-4-[[(3S)-3-[[[(1S,2S)-2-[[[(1S,2S)-2-aminocyclopentyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]-5-methyl-1-oxohexyl]amino]-3-pyrrolidinyl]-oxomethyl]amino]-5-methyl-1-oxohexyl]amino]-5-methyl-1-oxohexyl]amino]-4-hydroxy-1-oxobutyl]amino]-5-methyl-1-oxohexyl]amino]-3-pyrrolidinyl]-oxomethyl]amino]-5-methyl-1-oxohexyl]amino]-4-hydroxy-1-oxobutyl]amino]-3-pyrrolidinecarboxamide IUPAC Name: (3S,4R)-4-[[(3R)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3R)-3-[[(3S)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-aminocyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]-5-methylhexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]-4-hydroxybutanoyl]amino]-5-methylhexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methylhexanoyl]amino]-4-hydroxybutanoyl]amino]pyrrolidine-3-carboxamide Traditional Name: (3S,4R)-4-[[(3R)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3R)-3-[[(3S)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-aminocyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]-5-methyl-hexanoyl]amino]-4-hydroxy-butanoyl]amino]-5-methyl-hexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]-4-hydroxy-butanoyl]amino]pyrrolidine-3-carboxamide Formula: C70H124N16O14 MolecularWeight: 1413.83236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NC1CNCC1C(=O)NC(CC(C)C)CC(=O)NC(CC(=O)NC2CNCC2C(=O)N)CO)NC(=O)CC(CO)NC(=O)CC(CC(C)C)NC(=O)CC(CC(C)C)NC(=O)C3CNCC3NC(=O)CC(CC(C)C)NC(=O)C4CCCC4NC(=O)C5CCCC5N

Isomeric SMILES

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

InChI

InChI=1S/C70H124N16O14/c1-37(2)17-42(76-59(89)24-44(19-39(5)6)81-69(99)53-31-75-34-58(53)85-64(94)26-46(21-41(9)10)80-68(98)50-14-12-16-55(50)86-67(97)49-13-11-15-54(49)71)22-60(90)78-47(35-87)27-62(92)77-43(18-38(3)4)23-63(93)84-57-33-74-30-52(57)70(100)82-45(20-40(7)8)25-61(91)79-48(36-88)28-65(95)83-56-32-73-29-51(56)66(72)96/h37-58,73-75,87-88H,11-36,71H2,1-10H3,(H2,72,96)(H,76,89)(H,77,92)(H,78,90)(H,79,91)(H,80,98)(H,81,99)(H,82,100)(H,83,95)(H,84,93)(H,85,94)(H,86,97)/t42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1