Res-701-4

Structural Information

Molecular Formula

C₁₀₃H₁₁₅N₂₃O₂₅

SMILES

C[C@H](C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC3=CNC=N3)CC4=CNC5=CC=CC=C54)CC(=O)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC1=CNC2=C1C=CC=C2O)C(=O)O)CO)O

InChI

InChI=1S/C103H115N23O25/c1-53(128)88-101(148)124-80(51-127)102(149)126-33-13-23-81(126)100(147)122-78(44-85(134)109-49-86(135)113-76(42-83(104)132)97(144)118-74(39-59-46-108-68-22-11-9-19-65(59)68)96(143)120-75(41-61-48-106-52-112-61)90(137)111-50-87(136)125-88)99(146)119-73(38-58-45-107-67-21-10-8-18-64(58)67)95(142)116-69(34-54-14-4-2-5-15-54)91(138)114-70(35-55-16-6-3-7-17-55)93(140)121-77(43-84(105)133)98(145)117-71(36-56-25-29-62(129)30-26-56)92(139)115-72(37-57-27-31-63(130)32-28-57)94(141)123-79(103(150)151)40-60-47-110-89-66(60)20-12-24-82(89)131/h2-12,14-22,24-32,45-48,52-53,69-81,88,107-108,110,127-131H,13,23,33-44,49-51H2,1H3,(H2,104,132)(H2,105,133)(H,106,112)(H,109,134)(H,111,137)(H,113,135)(H,114,138)(H,115,139)(H,116,142)(H,117,145)(H,118,144)(H,119,146)(H,120,143)(H,121,140)(H,122,147)(H,123,141)(H,124,148)(H,125,136)(H,150,151)/t53-,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,88?/m1/s1

InChIKey

JHNVFWSVMMAWSD-CNPBOTFBSA-N

Compound name

2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[18-(2-amino-2-oxoethyl)-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-12-(1H-imidazol-4-ylmethyl)-15-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,27-nonaoxo-1,4,7,10,13,16,19,22,26-nonazabicyclo[26.3.0]hentriacontane-25-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(7-hydroxy-1H-indol-3-yl)propanoic acid

Related CIDs

• CID 139584996