CID 86574964
Weewdkkieelikkseelikkieeqikkqeeskk
Structural Information
- Molecular Formula
- C200H331N49O62
- 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](CC(=O)O)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/C200H331N49O62/c1-17-106(11)160(194(304)231-122(54-30-40-88-204)169(279)217-119(51-27-37-85-201)168(278)222-128(61-73-147(212)252)174(284)224-132(65-77-151(258)259)177(287)229-137(70-82-156(268)269)184(294)243-146(103-251)193(303)249-165(111(16)22-6)197(307)234-125(57-33-43-91-207)172(282)237-140(200(310)311)60-36-46-94-210)246-187(297)129(62-74-148(213)253)223-176(286)131(64-76-150(256)257)225-179(289)138(71-83-157(270)271)235-198(308)162(108(13)19-3)245-186(296)127(59-35-45-93-209)220-171(281)124(56-32-42-90-206)233-196(306)164(110(15)21-5)248-190(300)141(95-104(7)8)238-181(291)134(67-79-153(262)263)227-178(288)133(66-78-152(260)261)230-192(302)145(102-250)242-173(283)121(53-29-39-87-203)218-170(280)123(55-31-41-89-205)232-195(305)163(109(14)20-4)247-191(301)142(96-105(9)10)239-182(292)135(68-80-154(264)265)228-180(290)139(72-84-158(272)273)236-199(309)161(107(12)18-2)244-185(295)126(58-34-44-92-208)219-167(277)120(52-28-38-86-202)221-189(299)144(99-159(274)275)241-188(298)143(98-113-101-215-118-50-26-24-48-115(113)118)240-183(293)136(69-81-155(266)267)226-175(285)130(63-75-149(254)255)216-166(276)116(211)97-112-100-214-117-49-25-23-47-114(112)117/h23-26,47-50,100-101,104-111,116,119-146,160-165,214-215,250-251H,17-22,27-46,51-99,102-103,201-211H2,1-16H3,(H2,212,252)(H2,213,253)(H,216,276)(H,217,279)(H,218,280)(H,219,277)(H,220,281)(H,221,299)(H,222,278)(H,223,286)(H,224,284)(H,225,289)(H,226,285)(H,227,288)(H,228,290)(H,229,287)(H,230,302)(H,231,304)(H,232,305)(H,233,306)(H,234,307)(H,235,308)(H,236,309)(H,237,282)(H,238,291)(H,239,292)(H,240,293)(H,241,298)(H,242,283)(H,243,294)(H,244,295)(H,245,296)(H,246,297)(H,247,301)(H,248,300)(H,249,303)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,310,311)/t106-,107-,108-,109-,110-,111-,116-,119-,120-,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-,160-,161-,162-,163-,164-,165-/m0/s1
- InChIKey
- BAOYTAXNHHXLLY-YCUZSCPJSA-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]-3-carboxypropanoyl]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]+ | 4412.4326 | 348.0 |
[M+Na]+ | 4434.4145 | 343.5 |
[M-H]- | 4410.4180 | 346.1 |
[M+NH4]+ | 4429.4591 | 344.0 |
[M+K]+ | 4450.3885 | 342.2 |
[M+H-H2O]+ | 4394.4226 | 344.5 |
[M+HCOO]- | 4456.4235 | 341.7 |
[M+CH3COO]- | 4470.4392 | 340.2 |
[M+Na-2H]- | 4432.4000 | 342.3 |
[M]+ | 4411.4248 | 330.4 |
[M]- | 4411.4258 | 330.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.