T-w-w-t-e-y-w-q-a-t-w-y-p-e-w-e-f-v

Structural Information

Molecular Formula

C₁₂₉H₁₅₅N₂₅O₃₀S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCS)N)O

InChI

InChI=1S/C129H155N25O30S/c1-66(2)109(126(181)132-50-52-185)151-122(177)96(53-71-21-8-7-9-22-71)144-114(169)92(43-47-105(161)162)140-118(173)97(56-74-61-133-86-28-15-10-23-81(74)86)145-115(170)93(44-48-106(163)164)141-124(179)103-33-20-51-154(103)129(184)102(55-73-36-40-80(159)41-37-73)150-121(176)100(59-77-64-136-89-31-18-13-26-84(77)89)149-128(183)110(69(5)156)152-112(167)67(3)138-113(168)91(42-46-104(130)160)139-119(174)98(57-75-62-134-87-29-16-11-24-82(75)87)146-117(172)95(54-72-34-38-79(158)39-35-72)143-116(171)94(45-49-107(165)166)142-127(182)111(70(6)157)153-123(178)101(60-78-65-137-90-32-19-14-27-85(78)90)147-120(175)99(148-125(180)108(131)68(4)155)58-76-63-135-88-30-17-12-25-83(76)88/h7-19,21-32,34-41,61-70,91-103,108-111,133-137,155-159,185H,20,33,42-60,131H2,1-6H3,(H2,130,160)(H,132,181)(H,138,168)(H,139,174)(H,140,173)(H,141,179)(H,142,182)(H,143,171)(H,144,169)(H,145,170)(H,146,172)(H,147,175)(H,148,180)(H,149,183)(H,150,176)(H,151,177)(H,152,167)(H,153,178)(H,161,162)(H,163,164)(H,165,166)/t67-,68+,69+,70+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,108-,109-,110-,111-/m0/s1

InChIKey

FGEXVLGNAFARGY-LZJBDNMVSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-3-methyl-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130589