Stresscopin

Structural Information

Molecular Formula

C₁₈₅H₃₀₇N₅₃O₅₀S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C185H307N53O50S2/c1-33-93(18)142(147(196)251)233-163(267)114(57-59-134(190)243)213-152(256)101(26)207-160(264)115(60-66-289-31)215-166(270)118(69-87(6)7)220-172(276)124(76-108-83-199-85-201-108)217-155(259)102(27)208-164(268)125(77-135(191)244)218-154(258)98(23)203-148(252)96(21)202-149(253)97(22)204-159(263)113(56-58-133(189)242)212-151(255)100(25)206-158(262)112(54-46-64-200-185(197)198)214-165(269)117(68-86(4)5)221-173(277)126(78-136(192)245)225-161(265)111(53-43-45-63-187)211-150(254)99(24)205-157(261)110(52-42-44-62-186)210-153(257)103(28)209-180(284)143(94(19)34-2)234-175(279)128(80-138(194)247)227-171(275)123(75-107-50-40-37-41-51-107)224-168(272)120(71-89(10)11)219-167(271)119(70-88(8)9)222-174(278)127(79-137(193)246)226-162(266)116(61-67-290-32)216-181(285)144(95(20)35-3)235-176(280)129(81-139(195)248)230-183(287)146(105(30)241)237-179(283)132-55-47-65-238(132)184(288)141(92(16)17)232-177(281)130(82-140(249)250)228-169(273)121(72-90(12)13)223-178(282)131(84-239)231-170(274)122(73-91(14)15)229-182(286)145(104(29)240)236-156(260)109(188)74-106-48-38-36-39-49-106/h36-41,48-51,83,85-105,109-132,141-146,239-241H,33-35,42-47,52-82,84,186-188H2,1-32H3,(H2,189,242)(H2,190,243)(H2,191,244)(H2,192,245)(H2,193,246)(H2,194,247)(H2,195,248)(H2,196,251)(H,199,201)(H,202,253)(H,203,252)(H,204,263)(H,205,261)(H,206,262)(H,207,264)(H,208,268)(H,209,284)(H,210,257)(H,211,254)(H,212,255)(H,213,256)(H,214,269)(H,215,270)(H,216,285)(H,217,259)(H,218,258)(H,219,271)(H,220,276)(H,221,277)(H,222,278)(H,223,282)(H,224,272)(H,225,265)(H,226,266)(H,227,275)(H,228,273)(H,229,286)(H,230,287)(H,231,274)(H,232,281)(H,233,267)(H,234,279)(H,235,280)(H,236,260)(H,237,283)(H,249,250)(H4,197,198,200)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,141-,142-,143-,144-,145-,146-/m0/s1

InChIKey

FCENQCVTLJEGOT-KIHVXQRMSA-N

Compound name

(3S)-4-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-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)-5-amino-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 56843277