Res-701-3

Structural Information

Molecular Formula

C₁₀₃H₁₁₅N₂₃O₂₄

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=CC=CC=C21)C(=O)O)CO)O

InChI

InChI=1S/C103H115N23O24/c1-54(128)89-101(147)124-82(52-127)102(148)126-34-14-25-83(126)100(146)122-80(45-86(133)110-50-87(134)113-78(43-84(104)131)97(143)118-76(40-60-47-108-69-23-12-9-20-66(60)69)96(142)120-77(42-62-49-106-53-112-62)90(136)111-51-88(135)125-89)99(145)119-75(39-59-46-107-68-22-11-8-19-65(59)68)95(141)116-71(35-55-15-4-2-5-16-55)91(137)114-72(36-56-17-6-3-7-18-56)93(139)121-79(44-85(105)132)98(144)117-73(37-57-26-30-63(129)31-27-57)92(138)115-74(38-58-28-32-64(130)33-29-58)94(140)123-81(103(149)150)41-61-48-109-70-24-13-10-21-67(61)70/h2-13,15-24,26-33,46-49,53-54,71-83,89,107-109,127-130H,14,25,34-45,50-52H2,1H3,(H2,104,131)(H2,105,132)(H,106,112)(H,110,133)(H,111,136)(H,113,134)(H,114,137)(H,115,138)(H,116,141)(H,117,144)(H,118,143)(H,119,145)(H,120,142)(H,121,139)(H,122,146)(H,123,140)(H,124,147)(H,125,135)(H,149,150)/t54-,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,89?/m1/s1

InChIKey

RSSUBDDVAQNPLG-AEIDVDNOSA-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-(1H-indol-3-yl)propanoic acid

Related CIDs

• CID 139584294