CID 16186113
K-k-a-k-k-k-a-k-k-k-a-k-k-k-a-k-k-k-a-k-k-k-a-k-k-k-a-k
Structural Information
- Molecular Formula
- C147H289N49O29
- SMILES
- C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C147H289N49O29/c1-92(170-128(205)100(51-9-30-72-149)183-127(204)99(169)50-8-29-71-148)120(197)177-107(58-16-37-79-156)135(212)190-113(64-22-43-85-162)141(218)184-101(52-10-31-73-150)129(206)171-93(2)121(198)178-108(59-17-38-80-157)136(213)191-114(65-23-44-86-163)142(219)185-102(53-11-32-74-151)130(207)172-94(3)122(199)179-109(60-18-39-81-158)137(214)192-115(66-24-45-87-164)143(220)186-103(54-12-33-75-152)131(208)173-95(4)123(200)180-110(61-19-40-82-159)138(215)193-116(67-25-46-88-165)144(221)187-104(55-13-34-76-153)132(209)174-96(5)124(201)181-111(62-20-41-83-160)139(216)194-117(68-26-47-89-166)145(222)188-105(56-14-35-77-154)133(210)175-97(6)125(202)182-112(63-21-42-84-161)140(217)195-118(69-27-48-90-167)146(223)189-106(57-15-36-78-155)134(211)176-98(7)126(203)196-119(147(224)225)70-28-49-91-168/h92-119H,8-91,148-169H2,1-7H3,(H,170,205)(H,171,206)(H,172,207)(H,173,208)(H,174,209)(H,175,210)(H,176,211)(H,177,197)(H,178,198)(H,179,199)(H,180,200)(H,181,201)(H,182,202)(H,183,204)(H,184,218)(H,185,219)(H,186,220)(H,187,221)(H,188,222)(H,189,223)(H,190,212)(H,191,213)(H,192,214)(H,193,215)(H,194,216)(H,195,217)(H,196,203)(H,224,225)/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-/m0/s1
- InChIKey
- LCRLFCPWLFFZPR-RODBUEGRSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3206.2719 | 364.4 |
[M+Na]+ | 3228.2538 | 352.5 |
[M-H]- | 3204.2573 | 360.6 |
[M+NH4]+ | 3223.2984 | 355.1 |
[M+K]+ | 3244.2278 | 351.7 |
[M+H-H2O]+ | 3188.2619 | 354.0 |
[M+HCOO]- | 3250.2628 | 351.3 |
[M+CH3COO]- | 3264.2785 | 348.9 |
[M+Na-2H]- | 3226.2393 | 360.1 |
[M]+ | 3205.2641 | 316.8 |
[M]- | 3205.2651 | 316.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.