Fe 203799

Structural Information

Molecular Formula

C₁₇₂H₂₆₃N₄₃O₅₂

SMILES

CCCC[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C172H263N43O52/c1-23-28-50-103(191-148(244)107(55-57-128(225)226)192-157(253)119(72-131(231)232)205-164(260)123(80-217)208-154(250)113(64-95-43-32-29-33-44-95)201-163(259)122(79-216)189-127(224)78-184-145(241)118(71-130(229)230)188-126(223)77-183-144(240)101(174)68-99-76-180-81-185-99)146(242)199-115(66-97-47-36-31-37-48-97)162(258)214-140(94(22)220)171(267)212-136(88(16)26-4)167(263)206-111(62-84(10)11)153(249)204-121(74-133(235)236)158(254)197-110(61-83(8)9)152(248)196-109(60-82(6)7)151(247)187-90(18)142(238)186-91(19)143(239)190-105(53-42-59-181-172(178)179)147(243)203-120(73-132(233)234)159(255)200-114(65-96-45-34-30-35-46-96)161(257)211-135(87(15)25-3)166(262)207-117(69-125(176)222)156(252)202-116(67-98-75-182-102-51-39-38-49-100(98)102)155(251)198-112(63-85(12)13)160(256)210-134(86(14)24-2)165(261)194-106(54-56-124(175)221)150(246)213-138(92(20)218)169(265)193-104(52-40-41-58-173)149(245)209-137(89(17)27-5)168(264)215-139(93(21)219)170(266)195-108(141(177)237)70-129(227)228/h29-39,43-49,51,75-76,81-94,101,103-123,134-140,182,216-220H,23-28,40-42,50,52-74,77-80,173-174H2,1-22H3,(H2,175,221)(H2,176,222)(H2,177,237)(H,180,185)(H,183,240)(H,184,241)(H,186,238)(H,187,247)(H,188,223)(H,189,224)(H,190,239)(H,191,244)(H,192,253)(H,193,265)(H,194,261)(H,195,266)(H,196,248)(H,197,254)(H,198,251)(H,199,242)(H,200,255)(H,201,259)(H,202,252)(H,203,243)(H,204,249)(H,205,260)(H,206,263)(H,207,262)(H,208,250)(H,209,245)(H,210,256)(H,211,257)(H,212,267)(H,213,246)(H,214,258)(H,215,264)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H4,178,179,181)/t86-,87-,88-,89-,90-,91-,92+,93+,94+,101-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115+,116-,117-,118-,119-,120-,121-,122-,123-,134-,135-,136-,137-,138-,139-,140-/m0/s1

InChIKey

AVYLMJODKHVQHD-WFOXQDBGSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 155559189