5-[[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[[5-amino-1-[[2-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-2-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid

InChI=1S/C128H218N44O38/c1-59(2)44-79(118(204)171-98(65(13)14)101(132)187)152-94(181)54-148-105(191)76(32-35-90(130)178)157-114(200)82(47-62(7)8)164-116(202)83(48-63(9)10)162-109(195)74(30-24-40-145-127(137)138)154-111(197)77(33-36-91(131)179)158-115(201)81(46-61(5)6)160-108(194)73(29-23-39-144-126(135)136)153-103(189)67(16)150-93(180)53-147-102(188)66(15)151-107(193)72(28-22-38-143-125(133)134)155-113(199)80(45-60(3)4)161-110(196)75(31-25-41-146-128(139)140)156-120(206)88(57-174)168-117(203)84(49-64(11)12)163-112(198)78(34-37-96(183)184)159-121(207)89(58-175)169-124(210)100(69(18)177)172-119(205)85(50-70-26-20-19-21-27-70)166-123(209)99(68(17)176)170-95(182)55-149-106(192)86(52-97(185)186)165-122(208)87(56-173)167-104(190)71(129)51-92-141-42-43-142-92/h19-21,26-27,42-43,59-69,71-89,98-100,173-177H,22-25,28-41,44-58,129H2,1-18H3,(H2,130,178)(H2,131,179)(H2,132,187)(H,141,142)(H,147,188)(H,148,191)(H,149,192)(H,150,180)(H,151,193)(H,152,181)(H,153,189)(H,154,197)(H,155,199)(H,156,206)(H,157,200)(H,158,201)(H,159,207)(H,160,194)(H,161,196)(H,162,195)(H,163,198)(H,164,202)(H,165,208)(H,166,209)(H,167,190)(H,168,203)(H,169,210)(H,170,182)(H,171,204)(H,172,205)(H,183,184)(H,185,186)(H4,133,134,143)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)

ANGOYYXZZUIXIX-UHFFFAOYSA-N

CC(C)CC(C(=O)NC(C(C)C)C(=O)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CNC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N

2011-08-02

Molecular Formula	C₁₂₈H₂₁₈N₄₄O₃₈
Molecular Weight	2981.4 g/mol
XLogP3	-12.6
Hydrogen Bond Donor Count	50
Hydrogen Bond Acceptor Count	44
Rotatable Bond Count	106
Exact Mass	2980.6512235 g/mol
Monoisotopic Mass	2979.6478687 g/mol
Topological Polar Surface Area	1360 Å²
Heavy Atom Count	210
Formal Charge	0
Complexity	6780
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	26
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Chirhostim

Chirhostim

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