CID 16186120
F-k-a-f-k-a-f-k-a-f-k-a-f-k-a-f-k-f-f-k-a-f-k-a
Structural Information
- Molecular Formula
- C150H214N32O25
- 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)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC9=CC=CC=C9)N
- InChI
- InChI=1S/C150H214N32O25/c1-94(160-134(190)111(69-35-43-77-151)167-133(189)110(159)85-101-51-17-8-18-52-101)127(183)175-119(86-102-53-19-9-20-54-102)142(198)168-112(70-36-44-78-152)135(191)161-95(2)128(184)176-120(87-103-55-21-10-22-56-103)143(199)169-113(71-37-45-79-153)136(192)162-96(3)129(185)177-121(88-104-57-23-11-24-58-104)144(200)170-114(72-38-46-80-154)137(193)163-97(4)130(186)178-122(89-105-59-25-12-26-60-105)145(201)171-115(73-39-47-81-155)138(194)164-99(6)132(188)180-124(91-107-63-29-14-30-64-107)147(203)174-118(76-42-50-84-158)141(197)181-126(93-109-67-33-16-34-68-109)149(205)182-125(92-108-65-31-15-32-66-108)148(204)172-116(74-40-48-82-156)139(195)165-98(5)131(187)179-123(90-106-61-27-13-28-62-106)146(202)173-117(75-41-49-83-157)140(196)166-100(7)150(206)207/h8-34,51-68,94-100,110-126H,35-50,69-93,151-159H2,1-7H3,(H,160,190)(H,161,191)(H,162,192)(H,163,193)(H,164,194)(H,165,195)(H,166,196)(H,167,189)(H,168,198)(H,169,199)(H,170,200)(H,171,201)(H,172,204)(H,173,202)(H,174,203)(H,175,183)(H,176,184)(H,177,185)(H,178,186)(H,179,187)(H,180,188)(H,181,197)(H,182,205)(H,206,207)/t94-,95-,96-,97-,98-,99-,100-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-/m0/s1
- InChIKey
- KLDITDADSVQFHC-DZHHTWQUSA-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-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]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2864.6531 | 319.2 |
[M+Na]+ | 2886.6350 | 302.5 |
[M-H]- | 2862.6385 | 319.9 |
[M+NH4]+ | 2881.6796 | 308.7 |
[M+K]+ | 2902.6090 | 304.3 |
[M+H-H2O]+ | 2846.6431 | 295.8 |
[M+HCOO]- | 2908.6440 | 305.9 |
[M+CH3COO]- | 2922.6597 | 304.9 |
[M+Na-2H]- | 2884.6205 | 341.1 |
[M]+ | 2863.6453 | 258.5 |
[M]- | 2863.6463 | 258.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.