Ac-ctrpnnntrk siriqrgpgr afvtigkign mrqahc-nh2

Structural Information

Molecular Formula

C₁₇₀H₂₉₁N₆₅O₄₇S₃

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C170H291N65O47S3/c1-18-81(7)126(156(274)201-74-123(249)209-106(67-117(175)243)147(265)214-102(53-64-285-17)143(261)212-97(43-31-58-195-167(184)185)139(257)213-100(49-51-115(173)241)138(256)205-86(12)135(253)220-105(66-92-71-192-79-203-92)146(264)225-111(77-283)133(179)251)227-144(262)94(39-25-27-54-171)207-122(248)73-200-157(275)127(82(8)19-2)230-163(281)132(89(15)239)233-158(276)125(80(5)6)226-150(268)104(65-91-37-23-22-24-38-91)219-134(252)85(11)204-137(255)95(42-30-57-194-166(182)183)208-121(247)72-199-154(272)113-47-35-62-234(113)124(250)75-202-136(254)93(41-29-56-193-165(180)181)210-142(260)101(50-52-116(174)242)217-160(278)128(83(9)20-3)228-145(263)99(45-33-60-197-169(188)189)215-159(277)129(84(10)21-4)229-152(270)110(76-236)224-141(259)96(40-26-28-55-172)211-140(258)98(44-32-59-196-168(186)187)216-161(279)130(87(13)237)231-151(269)109(70-120(178)246)222-148(266)107(68-118(176)244)221-149(267)108(69-119(177)245)223-155(273)114-48-36-63-235(114)164(282)103(46-34-61-198-170(190)191)218-162(280)131(88(14)238)232-153(271)112(78-284)206-90(16)240/h22-24,37-38,71,79-89,93-114,125-132,236-239,283-284H,18-21,25-36,39-70,72-78,171-172H2,1-17H3,(H2,173,241)(H2,174,242)(H2,175,243)(H2,176,244)(H2,177,245)(H2,178,246)(H2,179,251)(H,192,203)(H,199,272)(H,200,275)(H,201,274)(H,202,254)(H,204,255)(H,205,256)(H,206,240)(H,207,248)(H,208,247)(H,209,249)(H,210,260)(H,211,258)(H,212,261)(H,213,257)(H,214,265)(H,215,277)(H,216,279)(H,217,278)(H,218,280)(H,219,252)(H,220,253)(H,221,267)(H,222,266)(H,223,273)(H,224,259)(H,225,264)(H,226,268)(H,227,262)(H,228,263)(H,229,270)(H,230,281)(H,231,269)(H,232,271)(H,233,276)(H4,180,181,193)(H4,182,183,194)(H4,184,185,195)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)/t81-,82-,83-,84-,85-,86-,87+,88+,89+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-,130-,131-,132-/m0/s1

InChIKey

HJUFPKQGWZBQOA-PORZUJNISA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

Related CIDs

• CID 16204869