Ac-rairhiprri rqgleril-nh2

Structural Information

Molecular Formula

C₁₀₀H₁₈₀N₄₀O₂₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C100H180N40O22/c1-15-52(9)74(136-79(147)56(13)124-81(149)59(125-57(14)141)26-19-37-116-95(103)104)91(159)133-62(29-22-40-119-98(109)110)84(152)135-69(46-58-47-115-49-123-58)89(157)139-77(55(12)18-4)94(162)140-43-25-32-70(140)90(158)131-60(27-20-38-117-96(105)106)82(150)127-63(30-23-41-120-99(111)112)86(154)137-75(53(10)16-2)92(160)132-61(28-21-39-118-97(107)108)83(151)129-65(33-35-71(101)142)80(148)122-48-72(143)126-68(45-51(7)8)88(156)130-66(34-36-73(144)145)85(153)128-64(31-24-42-121-100(113)114)87(155)138-76(54(11)17-3)93(161)134-67(78(102)146)44-50(5)6/h47,49-56,59-70,74-77H,15-46,48H2,1-14H3,(H2,101,142)(H2,102,146)(H,115,123)(H,122,148)(H,124,149)(H,125,141)(H,126,143)(H,127,150)(H,128,153)(H,129,151)(H,130,156)(H,131,158)(H,132,160)(H,133,159)(H,134,161)(H,135,152)(H,136,147)(H,137,154)(H,138,155)(H,139,157)(H,144,145)(H4,103,104,116)(H4,105,106,117)(H4,107,108,118)(H4,109,110,119)(H4,111,112,120)(H4,113,114,121)/t52-,53-,54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-,77-/m0/s1

InChIKey

QBFVDYYQICLVAX-VEOYQAFPSA-N

Compound name

(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204882