CID 16186107
L-k-k-l-l-k-k-l-l-k-k-l-l-k-k-l-l-k-k-l-l-k-k-l-l-k-k-l
Structural Information
- Molecular Formula
- C168H324N42O29
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)N
- InChI
- InChI=1S/C168H324N42O29/c1-99(2)85-113(183)141(211)184-114(57-29-43-71-169)142(212)185-121(64-36-50-78-176)149(219)198-134(92-106(15)16)162(232)204-128(86-100(3)4)156(226)192-115(58-30-44-72-170)143(213)186-122(65-37-51-79-177)150(220)199-135(93-107(17)18)163(233)205-129(87-101(5)6)157(227)193-116(59-31-45-73-171)144(214)187-123(66-38-52-80-178)151(221)200-136(94-108(19)20)164(234)206-130(88-102(7)8)158(228)194-117(60-32-46-74-172)145(215)188-124(67-39-53-81-179)152(222)201-137(95-109(21)22)165(235)207-131(89-103(9)10)159(229)195-118(61-33-47-75-173)146(216)189-125(68-40-54-82-180)153(223)202-138(96-110(23)24)166(236)208-132(90-104(11)12)160(230)196-119(62-34-48-76-174)147(217)190-126(69-41-55-83-181)154(224)203-139(97-111(25)26)167(237)209-133(91-105(13)14)161(231)197-120(63-35-49-77-175)148(218)191-127(70-42-56-84-182)155(225)210-140(168(238)239)98-112(27)28/h99-140H,29-98,169-183H2,1-28H3,(H,184,211)(H,185,212)(H,186,213)(H,187,214)(H,188,215)(H,189,216)(H,190,217)(H,191,218)(H,192,226)(H,193,227)(H,194,228)(H,195,229)(H,196,230)(H,197,231)(H,198,219)(H,199,220)(H,200,221)(H,201,222)(H,202,223)(H,203,224)(H,204,232)(H,205,233)(H,206,234)(H,207,235)(H,208,236)(H,209,237)(H,210,225)(H,238,239)/t113-,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-/m0/s1
- InChIKey
- RPAACMIEIQZIFH-LNRDUVAKSA-N
- Compound name
- (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3395.5241 | 460.1 |
[M+Na]+ | 3417.5060 | 444.8 |
[M-H]- | 3393.5095 | 454.9 |
[M+NH4]+ | 3412.5506 | 447.8 |
[M+K]+ | 3433.4800 | 442.2 |
[M+H-H2O]+ | 3377.5141 | 444.6 |
[M+HCOO]- | 3439.5150 | 441.6 |
[M+CH3COO]- | 3453.5307 | 437.0 |
[M+Na-2H]- | 3415.4915 | 446.5 |
[M]+ | 3394.5163 | 401.7 |
[M]- | 3394.5173 | 401.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.