CID 16186116
K-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k
Structural Information
- Molecular Formula
- C168H266N40O25
- SMILES
- C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C168H266N40O25/c169-89-41-25-73-121(185)145(209)201-137(105-113-57-9-1-10-58-113)160(224)193-122(74-26-42-90-170)146(210)186-129(81-33-49-97-177)153(217)202-138(106-114-59-11-2-12-60-114)161(225)194-123(75-27-43-91-171)147(211)187-130(82-34-50-98-178)154(218)203-139(107-115-61-13-3-14-62-115)162(226)195-124(76-28-44-92-172)148(212)188-131(83-35-51-99-179)155(219)204-140(108-116-63-15-4-16-64-116)163(227)196-125(77-29-45-93-173)149(213)189-132(84-36-52-100-180)156(220)205-141(109-117-65-17-5-18-66-117)164(228)197-126(78-30-46-94-174)150(214)190-133(85-37-53-101-181)157(221)206-142(110-118-67-19-6-20-68-118)165(229)198-127(79-31-47-95-175)151(215)191-134(86-38-54-102-182)158(222)207-143(111-119-69-21-7-22-70-119)166(230)199-128(80-32-48-96-176)152(216)192-135(87-39-55-103-183)159(223)208-144(112-120-71-23-8-24-72-120)167(231)200-136(168(232)233)88-40-56-104-184/h1-24,57-72,121-144H,25-56,73-112,169-185H2,(H,186,210)(H,187,211)(H,188,212)(H,189,213)(H,190,214)(H,191,215)(H,192,216)(H,193,224)(H,194,225)(H,195,226)(H,196,227)(H,197,228)(H,198,229)(H,199,230)(H,200,231)(H,201,209)(H,202,217)(H,203,218)(H,204,219)(H,205,220)(H,206,221)(H,207,222)(H,208,223)(H,232,233)/t121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1
- InChIKey
- AWLFJSRGGZLMQM-VIWZZUDDSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 3245.0847 | 260.9 |
| [M+Na]+ | 3267.0666 | 247.1 |
| [M-H]- | 3243.0701 | 259.1 |
| [M+NH4]+ | 3262.1112 | 251.4 |
| [M+K]+ | 3283.0406 | 249.3 |
| [M+H-H2O]+ | 3227.0747 | 246.0 |
| [M+HCOO]- | 3289.0756 | 249.8 |
| [M+CH3COO]- | 3303.0913 | 250.0 |
| [M+Na-2H]- | 3265.0521 | 277.3 |
| [M]+ | 3244.0769 | 201.3 |
| [M]- | 3244.0779 | 201.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.