Qiwanmtwmewdreinnytslihslieesqnq

Structural Information

Molecular Formula

C₁₇₅H₂₅₉N₄₇O₅₆S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC8=CN=CN8)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C175H259N47O56S2/c1-18-81(9)137(217-144(247)97(176)40-47-125(177)229)169(272)210-113(62-89-71-188-98-32-25-22-29-94(89)98)153(256)192-85(13)143(246)202-117(66-128(180)232)157(260)199-108(55-58-280-17)152(255)221-141(86(14)226)172(275)211-115(64-91-73-190-100-34-27-24-31-96(91)100)154(257)198-107(54-57-279-16)150(253)195-103(43-50-132(236)237)148(251)206-114(63-90-72-189-99-33-26-23-30-95(90)99)155(258)209-121(70-136(244)245)161(264)193-101(35-28-56-187-175(184)185)145(248)196-106(46-53-135(242)243)151(254)218-139(83(11)20-3)171(274)213-120(69-131(183)235)160(263)208-119(68-130(182)234)159(262)205-112(61-88-36-38-93(228)39-37-88)164(267)222-142(87(15)227)173(276)216-124(77-225)167(270)204-111(60-80(7)8)163(266)220-140(84(12)21-4)170(273)212-116(65-92-74-186-78-191-92)156(259)215-123(76-224)166(269)203-110(59-79(5)6)162(265)219-138(82(10)19-2)168(271)200-105(45-52-134(240)241)146(249)194-104(44-51-133(238)239)149(252)214-122(75-223)165(268)197-102(41-48-126(178)230)147(250)207-118(67-129(181)233)158(261)201-109(174(277)278)42-49-127(179)231/h22-27,29-34,36-39,71-74,78-87,97,101-124,137-142,188-190,223-228H,18-21,28,35,40-70,75-77,176H2,1-17H3,(H2,177,229)(H2,178,230)(H2,179,231)(H2,180,232)(H2,181,233)(H2,182,234)(H2,183,235)(H,186,191)(H,192,256)(H,193,264)(H,194,249)(H,195,253)(H,196,248)(H,197,268)(H,198,257)(H,199,260)(H,200,271)(H,201,261)(H,202,246)(H,203,269)(H,204,270)(H,205,262)(H,206,251)(H,207,250)(H,208,263)(H,209,258)(H,210,272)(H,211,275)(H,212,273)(H,213,274)(H,214,252)(H,215,259)(H,216,276)(H,217,247)(H,218,254)(H,219,265)(H,220,266)(H,221,255)(H,222,267)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,277,278)(H4,184,185,187)/t81-,82-,83-,84-,85-,86+,87+,97-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,137-,138-,139-,140-,141-,142-/m0/s1

InChIKey

NOLHOYPEWGNGJM-MQBDYOPISA-N

Compound name

(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71598360