Wmewdreinnytslihsli-nh2

Structural Information

Molecular Formula

C₁₁₀H₁₆₃N₂₉O₃₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C110H163N29O31S/c1-13-54(8)87(91(114)152)136-102(163)72(37-52(4)5)126-105(166)80(49-140)134-98(159)76(42-61-48-117-51-121-61)132-107(168)89(56(10)15-3)138-103(164)73(38-53(6)7)127-106(167)81(50-141)135-109(170)90(57(11)142)139-104(165)74(39-58-26-28-62(143)29-27-58)128-99(160)77(43-82(112)144)130-100(161)78(44-83(113)145)133-108(169)88(55(9)14-2)137-96(157)70(31-33-85(148)149)125-93(154)68(25-20-35-118-110(115)116)123-101(162)79(45-86(150)151)131-97(158)75(41-60-47-120-67-24-19-17-22-64(60)67)129-94(155)69(30-32-84(146)147)124-95(156)71(34-36-171-12)122-92(153)65(111)40-59-46-119-66-23-18-16-21-63(59)66/h16-19,21-24,26-29,46-48,51-57,65,68-81,87-90,119-120,140-143H,13-15,20,25,30-45,49-50,111H2,1-12H3,(H2,112,144)(H2,113,145)(H2,114,152)(H,117,121)(H,122,153)(H,123,162)(H,124,156)(H,125,154)(H,126,166)(H,127,167)(H,128,160)(H,129,155)(H,130,161)(H,131,158)(H,132,168)(H,133,169)(H,134,159)(H,135,170)(H,136,163)(H,137,157)(H,138,164)(H,139,165)(H,146,147)(H,148,149)(H,150,151)(H4,115,116,118)/t54-,55-,56-,57+,65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-,90-/m0/s1

InChIKey

MBMNEFVPWSWKOE-HCEOIEJUSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130235