M871

Catalog No. : KL-0908844-757

Cas No. : 908844-75-7

Standard English name : (S)-4-((S)-1-((5S,8S,11S,17S,20S,23S,26S,29S,32S)-32-amino-23-(2-amino-2-oxoethyl)-11-(4-hydroxybenzyl)-29-((R)-1-hydroxyethyl)-20-(hydroxymethyl)-33-(1H-indol-3-yl)-5,8,26-triisobutyl-17-methyl-4,7,10,13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazatritriacontan-1-oyl)pyrrolidine-2-carboxamido)-5-(((S)-1-((S)-2-((S)-2-((S)-2-(((2S,5S,8S,11S,14S)-1-amino-5,11-diisobutyl-2,8-dimethyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-14-yl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

Molecular Formula : C₁₀₈H₁₆₃N₂₇O₂₈

Molecular Weight : 2,287.61

MDL No. : MFCD11112194

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Basic information

GHS
Smiles	C([C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC([C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](N)CC1C2C(=CC=CC=2)NC=1)CC1C=CC(O)=CC=1)=O)CC1NC=NC=1)(N1CCC[C@H]1C(N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N)=O)=O
Inchi	InChI=1S/C108H163N27O28/c1-53(2)38-71(125-98(153)74(41-56(7)8)126-100(155)76(43-63-28-30-66(138)31-29-63)121-85(140)49-114-90(145)59(12)118-102(157)79(51-136)130-101(156)77(46-84(110)139)127-99(154)75(42-57(9)10)128-105(160)88(62(15)137)131-93(148)68(109)44-64-47-113-69-23-17-16-22-67(64)69)94(149)115-50-86(141)132-34-18-24-80(132)104(159)122-70(32-33-87(142)143)95(150)129-78(45-65-48-112-52-116-65)106(161)134-36-20-26-82(134)108(163)135-37-21-27-83(135)107(162)133-35-19-25-81(133)103(158)120-61(14)92(147)124-73(40-55(5)6)97(152)119-60(13)91(146)123-72(39-54(3)4)96(151)117-58(11)89(111)144/h16-17,22-23,28-31,47-48,52-62,68,70-83,88,113,136-138H,18-21,24-27,32-46,49-51,109H2,1-15H3,(H2,110,139)(H2,111,144)(H,112,116)(H,114,145)(H,115,149)(H,117,151)(H,118,157)(H,119,152)(H,120,158)(H,121,140)(H,122,159)(H,123,146)(H,124,147)(H,125,153)(H,126,155)(H,127,154)(H,128,160)(H,129,150)(H,130,156)(H,131,148)(H,142,143)/t58-,59-,60-,61-,62+,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1
InchiKey	BHKXASDHGWBINL-ZEHYZEGSSA-N
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