CID 86574972
Xeexrkkieelikkseelikkieeqikkqeeskk
Structural Information
- Molecular Formula
- C184H324N50O60
- SMILES
- CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)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]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN
- InChI
- InChI=1S/C184H324N50O60/c1-17-98(11)145(177(287)218-108(47-26-36-82-188)155(265)205-106(45-24-34-80-186)154(264)210-116(55-67-131(196)237)161(271)212-119(60-72-138(247)248)163(273)216-123(64-76-142(255)256)169(279)228-130(95-236)176(286)234-150(103(16)22-6)180(290)221-111(50-29-39-85-191)158(268)224-126(183(293)294)53-32-42-88-194)231-172(282)117(56-68-132(197)238)211-162(272)118(59-71-137(245)246)213-165(275)124(65-77-143(257)258)222-181(291)147(100(13)19-3)230-171(281)113(52-31-41-87-193)208-157(267)110(49-28-38-84-190)220-179(289)149(102(15)21-5)233-173(283)127(90-96(7)8)225-167(277)121(62-74-140(251)252)214-164(274)120(61-73-139(249)250)217-175(285)129(94-235)227-159(269)107(46-25-35-81-187)206-156(266)109(48-27-37-83-189)219-178(288)148(101(14)20-4)232-174(284)128(91-97(9)10)226-168(278)122(63-75-141(253)254)215-166(276)125(66-78-144(259)260)223-182(292)146(99(12)18-2)229-170(280)112(51-30-40-86-192)207-153(263)105(44-23-33-79-185)204-152(262)104(54-43-89-200-184(198)199)203-134(240)93-201-151(261)114(57-69-135(241)242)209-160(270)115(58-70-136(243)244)202-133(239)92-195/h96-130,145-150,235-236H,17-95,185-195H2,1-16H3,(H2,196,237)(H2,197,238)(H,201,261)(H,202,239)(H,203,240)(H,204,262)(H,205,265)(H,206,266)(H,207,263)(H,208,267)(H,209,270)(H,210,264)(H,211,272)(H,212,271)(H,213,275)(H,214,274)(H,215,276)(H,216,273)(H,217,285)(H,218,287)(H,219,288)(H,220,289)(H,221,290)(H,222,291)(H,223,292)(H,224,268)(H,225,277)(H,226,278)(H,227,269)(H,228,279)(H,229,280)(H,230,281)(H,231,282)(H,232,284)(H,233,283)(H,234,286)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,293,294)(H4,198,199,200)/t98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,145-,146-,147-,148-,149-,150-/m0/s1
- InChIKey
- GCMXBYWYXAZLCB-SAVHMEAJSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4195.3913 | 360.8 |
[M+Na]+ | 4217.3732 | 356.2 |
[M-H]- | 4193.3767 | 358.8 |
[M+NH4]+ | 4212.4178 | 356.7 |
[M+K]+ | 4233.3472 | 354.7 |
[M+H-H2O]+ | 4177.3813 | 357.1 |
[M+HCOO]- | 4239.3822 | 354.1 |
[M+CH3COO]- | 4253.3979 | 352.3 |
[M+Na-2H]- | 4215.3587 | 353.7 |
[M]+ | 4194.3835 | 343.5 |
[M]- | 4194.3845 | 343.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.