Qiannmtwmewdreinnytslihslieesqnq

Structural Information

Molecular Formula

C₁₆₈H₂₅₅N₄₇O₅₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)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](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)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](CC5=CC=C(C=C5)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](CC6=CN=CN6)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/C168H255N47O57S2/c1-18-76(9)130(210-137(241)90(169)36-43-117(170)222)161(265)185-80(13)136(240)195-108(61-120(173)225)151(255)201-109(62-121(174)226)149(253)192-100(51-54-274-17)145(249)214-134(81(14)219)165(269)204-106(59-85-68-183-92-30-25-23-28-89(85)92)146(250)191-99(50-53-273-16)143(247)188-95(39-46-125(230)231)141(245)199-105(58-84-67-182-91-29-24-22-27-88(84)91)147(251)203-113(66-129(238)239)154(258)186-93(31-26-52-181-168(178)179)138(242)189-98(42-49-128(236)237)144(248)211-132(78(11)20-3)164(268)206-112(65-124(177)229)153(257)202-111(64-123(176)228)152(256)198-104(57-83-32-34-87(221)35-33-83)157(261)215-135(82(15)220)166(270)209-116(72-218)160(264)197-103(56-75(7)8)156(260)213-133(79(12)21-4)163(267)205-107(60-86-69-180-73-184-86)148(252)208-115(71-217)159(263)196-102(55-74(5)6)155(259)212-131(77(10)19-2)162(266)193-97(41-48-127(234)235)139(243)187-96(40-47-126(232)233)142(246)207-114(70-216)158(262)190-94(37-44-118(171)223)140(244)200-110(63-122(175)227)150(254)194-101(167(271)272)38-45-119(172)224/h22-25,27-30,32-35,67-69,73-82,90,93-116,130-135,182-183,216-221H,18-21,26,31,36-66,70-72,169H2,1-17H3,(H2,170,222)(H2,171,223)(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,229)(H,180,184)(H,185,265)(H,186,258)(H,187,243)(H,188,247)(H,189,242)(H,190,262)(H,191,250)(H,192,253)(H,193,266)(H,194,254)(H,195,240)(H,196,263)(H,197,264)(H,198,256)(H,199,245)(H,200,244)(H,201,255)(H,202,257)(H,203,251)(H,204,269)(H,205,267)(H,206,268)(H,207,246)(H,208,252)(H,209,270)(H,210,241)(H,211,248)(H,212,259)(H,213,260)(H,214,249)(H,215,261)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,271,272)(H4,178,179,181)/t76-,77-,78-,79-,80-,81+,82+,90-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,130-,131-,132-,133-,134-,135-/m0/s1

InChIKey

BTMICBZXKDPCNS-PPTULCELSA-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)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]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 71598359