CID 86574968
Weewikkieelikkseelikkieeqikkqeeskk
Structural Information
- Molecular Formula
- C202H337N49O60
- 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]([C@@H](C)CC)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/C202H337N49O60/c1-19-108(12)161(195(303)232-124(56-32-42-90-205)170(278)219-122(54-30-40-88-203)169(277)223-131(64-76-149(214)254)176(284)225-135(68-80-153(260)261)179(287)230-140(73-85-158(270)271)186(294)244-148(105-253)194(302)251-167(114(18)25-7)199(307)236-128(60-36-46-94-209)174(282)239-143(202(310)311)63-39-49-97-212)247-189(297)132(65-77-150(215)255)224-178(286)134(67-79-152(258)259)226-181(289)141(74-86-159(272)273)237-200(308)162(109(13)20-2)245-187(295)129(61-37-47-95-210)221-172(280)126(58-34-44-92-207)234-197(305)165(112(16)23-5)249-190(298)144(98-106(8)9)240-183(291)137(70-82-155(264)265)228-180(288)136(69-81-154(262)263)231-193(301)147(104-252)243-175(283)123(55-31-41-89-204)220-171(279)125(57-33-43-91-206)233-196(304)164(111(15)22-4)248-191(299)145(99-107(10)11)241-184(292)138(71-83-156(266)267)229-182(290)142(75-87-160(274)275)238-201(309)163(110(14)21-3)246-188(296)130(62-38-48-96-211)222-173(281)127(59-35-45-93-208)235-198(306)166(113(17)24-6)250-192(300)146(101-116-103-217-121-53-29-27-51-118(116)121)242-185(293)139(72-84-157(268)269)227-177(285)133(66-78-151(256)257)218-168(276)119(213)100-115-102-216-120-52-28-26-50-117(115)120/h26-29,50-53,102-103,106-114,119,122-148,161-167,216-217,252-253H,19-25,30-49,54-101,104-105,203-213H2,1-18H3,(H2,214,254)(H2,215,255)(H,218,276)(H,219,278)(H,220,279)(H,221,280)(H,222,281)(H,223,277)(H,224,286)(H,225,284)(H,226,289)(H,227,285)(H,228,288)(H,229,290)(H,230,287)(H,231,301)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H,236,307)(H,237,308)(H,238,309)(H,239,282)(H,240,291)(H,241,292)(H,242,293)(H,243,283)(H,244,294)(H,245,295)(H,246,296)(H,247,297)(H,248,299)(H,249,298)(H,250,300)(H,251,302)(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)/t108-,109-,110-,111-,112-,113-,114-,119-,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-,167-/m0/s1
- InChIKey
- SFHPUJFQYNMOMN-ZBPNVFKASA-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,3S)-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-methylpentanoyl]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]+ | 4410.4897 | 349.9 |
[M+Na]+ | 4432.4716 | 345.2 |
[M-H]- | 4408.4751 | 347.9 |
[M+NH4]+ | 4427.5162 | 345.7 |
[M+K]+ | 4448.4456 | 343.8 |
[M+H-H2O]+ | 4392.4797 | 346.2 |
[M+HCOO]- | 4454.4806 | 343.3 |
[M+CH3COO]- | 4468.4963 | 341.8 |
[M+Na-2H]- | 4430.4571 | 344.0 |
[M]+ | 4409.4819 | 331.4 |
[M]- | 4409.4829 | 331.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.