12650-88-3

Structural Information

Molecular Formula

C₉₉H₁₅₉N₃₇O₂₃

SMILES

CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C5CCCN5C(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)N

InChI

InChI=1S/C99H159N37O23/c1-11-50(8)77(132-72(139)46-120-81(145)63(32-33-70(101)137)124-88(152)69-31-21-39-136(69)93(157)68(43-73(140)141)131-84(148)62(29-19-37-116-98(109)110)125-90(154)75(48(4)5)135-91(155)76(49(6)7)133-80(144)57(100)24-16-34-113-95(103)104)92(156)126-60(27-17-35-114-96(105)106)82(146)121-51(9)78(142)129-66(41-54-45-119-59-26-15-13-23-56(54)59)87(151)134-74(47(2)3)89(153)122-52(10)79(143)128-65(40-53-44-118-58-25-14-12-22-55(53)58)85(149)123-61(28-18-36-115-97(107)108)83(147)130-67(42-71(102)138)86(150)127-64(94(158)159)30-20-38-117-99(111)112/h12-15,22-23,25-26,44-45,47-52,57,60-69,74-77,118-119H,11,16-21,24,27-43,46,100H2,1-10H3,(H2,101,137)(H2,102,138)(H,120,145)(H,121,146)(H,122,153)(H,123,149)(H,124,152)(H,125,154)(H,126,156)(H,127,150)(H,128,143)(H,129,142)(H,130,147)(H,131,148)(H,132,139)(H,133,144)(H,134,151)(H,135,155)(H,140,141)(H,158,159)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)

InChIKey

ZJCXKXFAOCLSRV-UHFFFAOYSA-N

Compound name

2-[[4-amino-2-[[2-[[2-[2-[[2-[[2-[2-[[2-[[2-[[2-[[5-amino-2-[[1-[2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16129749
• CID 91976556