Nsc693199

Structural Information

Molecular Formula

C₁₃₀H₂₂₄N₄₄O₄₀

SMILES

CCC(C)C(C(=O)NCOC#N)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C(C)CC)NC(=O)C(C(C)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C3CCCN3C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)CC)NC(=O)C(COC4C(C(C(C(O4)CO)O)O)NC(=O)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C130H224N44O40/c1-16-62(7)93(118(203)151-54-90(184)157-74(34-23-25-43-131)112(197)168-94(63(8)17-2)119(204)153-60-210-59-133)171-124(209)98(68(13)212-126-100(156-70(15)179)104(189)102(187)85(57-176)214-126)173-120(205)92(61(5)6)167-114(199)80(50-71-32-21-20-22-33-71)164-105(190)66(11)154-108(193)75(37-28-46-147-128(140)141)158-89(183)53-150-117(202)83-40-31-49-174(83)91(185)55-152-107(192)73(36-27-45-146-127(138)139)159-111(196)79(41-42-86(135)180)163-122(207)95(64(9)18-3)169-113(198)78(39-30-48-149-130(144)145)161-121(206)96(65(10)19-4)170-116(201)82(58-211-125-99(155-69(14)178)103(188)101(186)84(56-175)213-125)166-110(195)76(35-24-26-44-132)160-109(194)77(38-29-47-148-129(142)143)162-123(208)97(67(12)177)172-115(200)81(52-88(137)182)165-106(191)72(134)51-87(136)181/h20-22,32-33,61-68,72-85,92-104,125-126,175-177,186-189H,16-19,23-31,34-58,60,131-132,134H2,1-15H3,(H2,135,180)(H2,136,181)(H2,137,182)(H,150,202)(H,151,203)(H,152,192)(H,153,204)(H,154,193)(H,155,178)(H,156,179)(H,157,184)(H,158,183)(H,159,196)(H,160,194)(H,161,206)(H,162,208)(H,163,207)(H,164,190)(H,165,191)(H,166,195)(H,167,199)(H,168,197)(H,169,198)(H,170,201)(H,171,209)(H,172,200)(H,173,205)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)

InChIKey

HZXKGAAGDNZIQQ-UHFFFAOYSA-N

Compound name

[[2-[[2-[[2-[[2-[[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[6-amino-2-[[2-[[2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]methyl cyanate

Related CIDs

• CID 16129824