Crf(9-41)

Structural Information

Molecular Formula

C₁₆₅H₂₈₂N₄₄O₅₆S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C165H282N44O56S2/c1-76(2)65-108(157(259)207-117(75-119(170)212)161(263)188-95(36-32-62-177-165(174)175)143(245)201-112(69-80(9)10)158(260)206-114(71-82(13)14)160(262)205-111(68-79(7)8)155(257)194-103(44-54-126(225)226)147(249)191-97(38-48-120(213)214)138(240)178-85(19)131(171)233)199-135(237)87(21)179-132(234)86(20)180-139(241)96(37-47-118(169)211)189-145(247)100(41-51-123(219)220)184-134(236)89(23)182-140(242)98(39-49-121(215)216)190-141(243)93(34-28-30-60-167)186-144(246)99(40-50-122(217)218)183-133(235)88(22)181-137(239)92(33-27-29-59-166)185-146(248)101(42-52-124(221)222)193-151(253)106(57-63-266-25)197-149(251)104(45-55-127(227)228)195-154(256)109(66-77(3)4)203-152(254)107(58-64-267-26)198-148(250)102(43-53-125(223)224)192-142(244)94(35-31-61-176-164(172)173)187-153(255)110(67-78(5)6)204-159(261)113(70-81(11)12)202-150(252)105(46-56-128(229)230)196-156(258)115(72-83(15)16)208-163(265)130(90(24)210)209-162(264)116(73-84(17)18)200-136(238)91(168)74-129(231)232/h76-117,130,210H,27-75,166-168H2,1-26H3,(H2,169,211)(H2,170,212)(H2,171,233)(H,178,240)(H,179,234)(H,180,241)(H,181,239)(H,182,242)(H,183,235)(H,184,236)(H,185,248)(H,186,246)(H,187,255)(H,188,263)(H,189,247)(H,190,243)(H,191,249)(H,192,244)(H,193,253)(H,194,257)(H,195,256)(H,196,258)(H,197,251)(H,198,250)(H,199,237)(H,200,238)(H,201,245)(H,202,252)(H,203,254)(H,204,261)(H,205,262)(H,206,260)(H,207,259)(H,208,265)(H,209,264)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H4,172,173,176)(H4,174,175,177)/t85-,86-,87-,88-,89-,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,130-/m0/s1

InChIKey

MMSLSKDMIZOHRX-WYDAWZGFSA-N

Compound name

(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130996