CID 71597656
Aeelakkaeelakkaeelakkaeelakkaeelakk
Structural Information
- Molecular Formula
- C170H297N45O56
- SMILES
- 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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N
- InChI
- InChI=1S/C170H297N45O56/c1-86(2)81-121(211-160(260)115(56-66-131(226)227)205-155(255)110(51-61-126(216)217)191-136(236)91(11)181)165(265)186-96(16)137(237)192-105(45-25-35-75-175)150(250)201-101(41-21-31-71-171)146(246)182-92(12)142(242)197-111(52-62-127(218)219)156(256)206-116(57-67-132(228)229)161(261)212-122(82-87(3)4)166(266)187-97(17)138(238)193-106(46-26-36-76-176)151(251)202-102(42-22-32-72-172)147(247)183-93(13)143(243)198-112(53-63-128(220)221)157(257)207-117(58-68-133(230)231)162(262)213-123(83-88(5)6)167(267)188-98(18)139(239)194-107(47-27-37-77-177)152(252)203-103(43-23-33-73-173)148(248)184-94(14)144(244)199-113(54-64-129(222)223)158(258)208-118(59-69-134(232)233)163(263)214-124(84-89(7)8)168(268)189-99(19)140(240)195-108(48-28-38-78-178)153(253)204-104(44-24-34-74-174)149(249)185-95(15)145(245)200-114(55-65-130(224)225)159(259)209-119(60-70-135(234)235)164(264)215-125(85-90(9)10)169(269)190-100(20)141(241)196-109(49-29-39-79-179)154(254)210-120(170(270)271)50-30-40-80-180/h86-125H,21-85,171-181H2,1-20H3,(H,182,246)(H,183,247)(H,184,248)(H,185,249)(H,186,265)(H,187,266)(H,188,267)(H,189,268)(H,190,269)(H,191,236)(H,192,237)(H,193,238)(H,194,239)(H,195,240)(H,196,241)(H,197,242)(H,198,243)(H,199,244)(H,200,245)(H,201,250)(H,202,251)(H,203,252)(H,204,253)(H,205,255)(H,206,256)(H,207,257)(H,208,258)(H,209,259)(H,210,254)(H,211,260)(H,212,261)(H,213,262)(H,214,263)(H,215,264)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,270,271)/t91-,92-,93-,94-,95-,96-,97-,98-,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-/m0/s1
- InChIKey
- YPCJUJUJUIKNKB-MANVSXGHSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3866.1848 | 412.5 |
[M+Na]+ | 3888.1667 | 404.7 |
[M-H]- | 3864.1702 | 409.2 |
[M+NH4]+ | 3883.2113 | 405.6 |
[M+K]+ | 3904.1407 | 402.2 |
[M+H-H2O]+ | 3848.1748 | 405.0 |
[M+HCOO]- | 3910.1757 | 401.3 |
[M+CH3COO]- | 3924.1914 | 398.1 |
[M+Na-2H]- | 3886.1522 | 399.8 |
[M]+ | 3865.1770 | 382.3 |
[M]- | 3865.1780 | 382.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.