Nsc693204

Structural Information

Molecular Formula

C₁₂₃H₂₁₃N₄₃O₃₆

SMILES

CCC(C)C(C(=O)NCC(=O)N)NC(=O)C(CCCC(=O)N)NC(=O)CNC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCC(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)CC)NC(=O)C(COC3C(C(C(C(O3)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/C123H213N43O36/c1-15-59(7)90(112(194)143-52-85(130)175)160-106(188)70(34-24-41-81(126)171)149-87(177)54-145-113(195)91(60(8)16-2)163-118(200)95(65(13)169)165-114(196)89(58(5)6)159-108(190)76(49-67-31-20-19-21-32-67)156-99(181)63(11)147-102(184)71(37-27-45-140-121(133)134)150-86(176)53-144-111(193)79-40-30-48-166(79)88(178)55-146-101(183)69(36-26-44-139-120(131)132)151-103(185)73(35-25-42-82(127)172)153-115(197)92(61(9)17-3)161-107(189)75(39-29-47-142-123(137)138)154-116(198)93(62(10)18-4)162-110(192)78(57-201-119-96(148-66(14)170)98(180)97(179)80(56-167)202-119)158-105(187)72(33-22-23-43-124)152-104(186)74(38-28-46-141-122(135)136)155-117(199)94(64(12)168)164-109(191)77(51-84(129)174)157-100(182)68(125)50-83(128)173/h19-21,31-32,58-65,68-80,89-98,119,167-169,179-180H,15-18,22-30,33-57,124-125H2,1-14H3,(H2,126,171)(H2,127,172)(H2,128,173)(H2,129,174)(H2,130,175)(H,143,194)(H,144,193)(H,145,195)(H,146,183)(H,147,184)(H,148,170)(H,149,177)(H,150,176)(H,151,185)(H,152,186)(H,153,197)(H,154,198)(H,155,199)(H,156,181)(H,157,182)(H,158,187)(H,159,190)(H,160,188)(H,161,189)(H,162,192)(H,163,200)(H,164,191)(H,165,196)(H4,131,132,139)(H4,133,134,140)(H4,135,136,141)(H4,137,138,142)

InChIKey

IJNQVGIOPQSBBI-UHFFFAOYSA-N

Compound name

2-[[2-[[2-[[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]-6-amino-6-oxohexanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-N-[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]hexanediamide

Related CIDs

• CID 16129827