CID 16186121
F-k-a-f-k-a-f-k-a-f-k-a-f-k-a-f-k-f-f-k-a-f-k-a-f-k-a
Structural Information
- Molecular Formula
- C168H240N36O28
- SMILES
- C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)N
- InChI
- InChI=1S/C168H240N36O28/c1-105(179-150(213)124(77-39-48-86-169)187-149(212)123(178)95-113-57-19-9-20-58-113)142(205)196-133(96-114-59-21-10-22-60-114)159(222)188-125(78-40-49-87-170)151(214)180-106(2)143(206)197-134(97-115-61-23-11-24-62-115)160(223)189-126(79-41-50-88-171)152(215)181-107(3)144(207)198-135(98-116-63-25-12-26-64-116)161(224)190-127(80-42-51-89-172)153(216)182-108(4)145(208)199-136(99-117-65-27-13-28-66-117)162(225)192-129(82-44-53-91-174)155(218)184-111(7)148(211)202-139(102-120-71-33-16-34-72-120)165(228)195-132(85-47-56-94-177)158(221)203-141(104-122-75-37-18-38-76-122)167(230)204-140(103-121-73-35-17-36-74-121)166(229)193-130(83-45-54-92-175)156(219)185-110(6)146(209)200-137(100-118-67-29-14-30-68-118)163(226)191-128(81-43-52-90-173)154(217)183-109(5)147(210)201-138(101-119-69-31-15-32-70-119)164(227)194-131(84-46-55-93-176)157(220)186-112(8)168(231)232/h9-38,57-76,105-112,123-141H,39-56,77-104,169-178H2,1-8H3,(H,179,213)(H,180,214)(H,181,215)(H,182,216)(H,183,217)(H,184,218)(H,185,219)(H,186,220)(H,187,212)(H,188,222)(H,189,223)(H,190,224)(H,191,226)(H,192,225)(H,193,229)(H,194,227)(H,195,228)(H,196,205)(H,197,206)(H,198,207)(H,199,208)(H,200,209)(H,201,210)(H,202,211)(H,203,221)(H,204,230)(H,231,232)/t105-,106-,107-,108-,109-,110-,111-,112-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-/m0/s1
- InChIKey
- OKFJXQZJLCIMGJ-YBGFGPIXSA-N
- Compound name
- (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3210.8535 | 304.0 |
[M+Na]+ | 3232.8354 | 289.5 |
[M-H]- | 3208.8389 | 302.7 |
[M+NH4]+ | 3227.8800 | 293.9 |
[M+K]+ | 3248.8094 | 290.6 |
[M+H-H2O]+ | 3192.8435 | 286.0 |
[M+HCOO]- | 3254.8444 | 291.5 |
[M+CH3COO]- | 3268.8601 | 290.8 |
[M+Na-2H]- | 3230.8209 | 317.7 |
[M]+ | 3209.8457 | 243.8 |
[M]- | 3209.8467 | 243.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.