CID 16186106
K-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a
Structural Information
- Molecular Formula
- C144H230N36O25
- SMILES
- C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)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](C)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](C)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](C)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](C)C(=O)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C144H230N36O25/c1-91(158-138(198)115(85-97-49-13-7-14-50-97)175-132(192)109(67-31-43-79-151)169-126(186)103(157)61-25-37-73-145)121(181)164-104(62-26-38-74-146)127(187)170-110(68-32-44-80-152)133(193)176-116(86-98-51-15-8-16-52-98)139(199)159-92(2)122(182)165-105(63-27-39-75-147)128(188)171-111(69-33-45-81-153)134(194)177-117(87-99-53-17-9-18-54-99)140(200)160-93(3)123(183)166-106(64-28-40-76-148)129(189)172-112(70-34-46-82-154)135(195)178-118(88-100-55-19-10-20-56-100)141(201)161-94(4)124(184)167-107(65-29-41-77-149)130(190)173-113(71-35-47-83-155)136(196)179-119(89-101-57-21-11-22-58-101)142(202)162-95(5)125(185)168-108(66-30-42-78-150)131(191)174-114(72-36-48-84-156)137(197)180-120(90-102-59-23-12-24-60-102)143(203)163-96(6)144(204)205/h7-24,49-60,91-96,103-120H,25-48,61-90,145-157H2,1-6H3,(H,158,198)(H,159,199)(H,160,200)(H,161,201)(H,162,202)(H,163,203)(H,164,181)(H,165,182)(H,166,183)(H,167,184)(H,168,185)(H,169,186)(H,170,187)(H,171,188)(H,172,189)(H,173,190)(H,174,191)(H,175,192)(H,176,193)(H,177,194)(H,178,195)(H,179,196)(H,180,197)(H,204,205)/t91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-/m0/s1
- InChIKey
- QYUDSFIUNMYFAX-VNVMFTCMSA-N
- Compound name
- (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)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2864.7905 | 324.5 |
[M+Na]+ | 2886.7724 | 305.8 |
[M-H]- | 2862.7759 | 322.7 |
[M+NH4]+ | 2881.8170 | 312.1 |
[M+K]+ | 2902.7464 | 308.0 |
[M+H-H2O]+ | 2846.7805 | 302.7 |
[M+HCOO]- | 2908.7814 | 308.8 |
[M+CH3COO]- | 2922.7971 | 307.5 |
[M+Na-2H]- | 2884.7579 | 340.9 |
[M]+ | 2863.7827 | 254.0 |
[M]- | 2863.7837 | 254.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.