CID 71598085
Feefskkieelikkseelikkieeqikkqeeskk
Structural Information
- Molecular Formula
- C195H329N47O61
- 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](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)N
- InChI
- InChI=1S/C195H329N47O61/c1-17-106(11)155(189(296)224-118(56-32-42-90-199)164(271)210-115(53-29-39-87-196)163(270)215-124(63-75-143(207)246)169(276)217-128(67-79-147(252)253)172(279)222-133(72-84-152(262)263)179(286)235-142(103-245)188(295)242-160(111(16)22-6)192(299)227-121(59-35-45-93-202)167(274)230-136(195(302)303)62-38-48-96-205)239-182(289)125(64-76-144(208)247)216-171(278)127(66-78-146(250)251)218-174(281)134(73-85-153(264)265)228-193(300)157(108(13)19-3)238-181(288)123(61-37-47-95-204)213-166(273)120(58-34-44-92-201)226-191(298)159(110(15)21-5)241-184(291)137(97-104(7)8)231-176(283)130(69-81-149(256)257)220-173(280)129(68-80-148(254)255)223-187(294)140(101-243)234-168(275)117(55-31-41-89-198)211-165(272)119(57-33-43-91-200)225-190(297)158(109(14)20-4)240-185(292)138(98-105(9)10)232-177(284)131(70-82-150(258)259)221-175(282)135(74-86-154(266)267)229-194(301)156(107(12)18-2)237-180(287)122(60-36-46-94-203)212-162(269)116(54-30-40-88-197)214-186(293)141(102-244)236-183(290)139(100-113-51-27-24-28-52-113)233-178(285)132(71-83-151(260)261)219-170(277)126(65-77-145(248)249)209-161(268)114(206)99-112-49-25-23-26-50-112/h23-28,49-52,104-111,114-142,155-160,243-245H,17-22,29-48,53-103,196-206H2,1-16H3,(H2,207,246)(H2,208,247)(H,209,268)(H,210,271)(H,211,272)(H,212,269)(H,213,273)(H,214,293)(H,215,270)(H,216,278)(H,217,276)(H,218,281)(H,219,277)(H,220,280)(H,221,282)(H,222,279)(H,223,294)(H,224,296)(H,225,297)(H,226,298)(H,227,299)(H,228,300)(H,229,301)(H,230,274)(H,231,283)(H,232,284)(H,233,285)(H,234,275)(H,235,286)(H,236,290)(H,237,287)(H,238,288)(H,239,289)(H,240,292)(H,241,291)(H,242,295)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)/t106-,107-,108-,109-,110-,111-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,155-,156-,157-,158-,159-,160-/m0/s1
- InChIKey
- QZTGDIXQHJQPJB-LZHTVIQMSA-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-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]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]+ | 4306.4160 | 358.7 |
[M+Na]+ | 4328.3979 | 353.6 |
[M-H]- | 4304.4014 | 356.5 |
[M+NH4]+ | 4323.4425 | 354.2 |
[M+K]+ | 4344.3719 | 352.1 |
[M+H-H2O]+ | 4288.4060 | 354.5 |
[M+HCOO]- | 4350.4069 | 351.5 |
[M+CH3COO]- | 4364.4226 | 349.7 |
[M+Na-2H]- | 4326.3834 | 351.7 |
[M]+ | 4305.4082 | 338.5 |
[M]- | 4305.4092 | 338.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.