Nsc676932

Structural Information

Molecular Formula

C₁₀₁H₁₃₈N₃₀O₂₆S

SMILES

CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CNC=N6)C(=O)NC(CO)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N

InChI

InChI=1S/C101H138N30O26S/c1-53(136)116-79(51-158)98(155)129-77(49-134)97(154)128-76(48-133)96(153)126-74(38-57-43-112-64-24-10-7-21-61(57)64)100(157)131-34-16-28-80(131)99(156)130-78(50-135)95(152)124-71(37-56-42-111-63-23-9-6-20-60(56)63)91(148)125-72(39-58-44-108-52-115-58)92(149)127-75(47-132)94(151)123-70(36-55-41-110-62-22-8-5-19-59(55)62)86(143)114-45-82(138)113-46-83(139)117-73(40-84(140)141)93(150)121-68(29-30-81(104)137)89(146)119-66(26-12-14-32-103)88(145)122-69(35-54-17-3-2-4-18-54)90(147)120-67(27-15-33-109-101(106)107)87(144)118-65(85(105)142)25-11-13-31-102/h2-10,17-24,41-44,52,65-80,110-112,132-135,158H,11-16,25-40,45-51,102-103H2,1H3,(H2,104,137)(H2,105,142)(H,108,115)(H,113,138)(H,114,143)(H,116,136)(H,117,139)(H,118,144)(H,119,146)(H,120,147)(H,121,150)(H,122,145)(H,123,151)(H,124,152)(H,125,148)(H,126,153)(H,127,149)(H,128,154)(H,129,155)(H,130,156)(H,140,141)(H4,106,107,109)

InChIKey

VLHKASQMUXRNHW-UHFFFAOYSA-N

Compound name

3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]-4-[[5-amino-1-[[6-amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16129811