CID 86574965
Weewrkkieelikkseelikkieeqikkqeeskk
Structural Information
- Molecular Formula
- C202H338N52O60
- 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)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N
- InChI
- InChI=1S/C202H338N52O60/c1-17-108(11)161(195(307)237-124(55-30-40-90-206)170(282)222-122(53-28-38-88-204)169(281)228-131(63-75-149(214)257)176(288)230-135(67-79-153(263)264)179(291)235-140(72-84-158(273)274)186(298)248-148(105-256)194(306)254-166(113(16)22-6)198(310)240-127(58-33-43-93-209)174(286)243-143(201(313)314)61-36-46-96-212)251-189(301)132(64-76-150(215)258)229-178(290)134(66-78-152(261)262)231-181(293)141(73-85-159(275)276)241-199(311)163(110(13)19-3)250-188(300)129(60-35-45-95-211)226-172(284)126(57-32-42-92-208)239-197(309)165(112(15)21-5)253-191(303)144(98-106(7)8)244-183(295)137(69-81-155(267)268)233-180(292)136(68-80-154(265)266)236-193(305)147(104-255)247-175(287)123(54-29-39-89-205)224-171(283)125(56-31-41-91-207)238-196(308)164(111(14)20-4)252-192(304)145(99-107(9)10)245-184(296)138(70-82-156(269)270)234-182(294)142(74-86-160(277)278)242-200(312)162(109(12)18-2)249-187(299)128(59-34-44-94-210)225-168(280)121(52-27-37-87-203)223-173(285)130(62-47-97-218-202(216)217)227-190(302)146(101-115-103-220-120-51-26-24-49-117(115)120)246-185(297)139(71-83-157(271)272)232-177(289)133(65-77-151(259)260)221-167(279)118(213)100-114-102-219-119-50-25-23-48-116(114)119/h23-26,48-51,102-103,106-113,118,121-148,161-166,219-220,255-256H,17-22,27-47,52-101,104-105,203-213H2,1-16H3,(H2,214,257)(H2,215,258)(H,221,279)(H,222,282)(H,223,285)(H,224,283)(H,225,280)(H,226,284)(H,227,302)(H,228,281)(H,229,290)(H,230,288)(H,231,293)(H,232,289)(H,233,292)(H,234,294)(H,235,291)(H,236,305)(H,237,307)(H,238,308)(H,239,309)(H,240,310)(H,241,311)(H,242,312)(H,243,286)(H,244,295)(H,245,296)(H,246,297)(H,247,287)(H,248,298)(H,249,299)(H,250,300)(H,251,301)(H,252,304)(H,253,303)(H,254,306)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,313,314)(H4,216,217,218)/t108-,109-,110-,111-,112-,113-,118-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,161-,162-,163-,164-,165-,166-/m0/s1
- InChIKey
- PUBQIGUUROXLCT-UHNWJKPGSA-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-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]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]+ | 4453.5068 | 338.5 |
[M+Na]+ | 4475.4887 | 334.6 |
[M-H]- | 4451.4922 | 336.9 |
[M+NH4]+ | 4470.5333 | 335.1 |
[M+K]+ | 4491.4627 | 333.5 |
[M+H-H2O]+ | 4435.4968 | 335.8 |
[M+HCOO]- | 4497.4977 | 333.1 |
[M+CH3COO]- | 4511.5134 | 331.9 |
[M+Na-2H]- | 4473.4742 | 333.9 |
[M]+ | 4452.4990 | 323.5 |
[M]- | 4452.5000 | 323.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.