CID 16186115
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
- C147H233N35O22
- 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)O)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C147H233N35O22/c148-78-36-22-64-106(162)127(183)176-120(92-99-50-8-1-9-51-99)140(196)169-107(65-23-37-79-149)128(184)163-113(71-29-43-85-155)134(190)177-121(93-100-52-10-2-11-53-100)141(197)170-108(66-24-38-80-150)129(185)164-114(72-30-44-86-156)135(191)178-122(94-101-54-12-3-13-55-101)142(198)171-109(67-25-39-81-151)130(186)165-115(73-31-45-87-157)136(192)179-123(95-102-56-14-4-15-57-102)143(199)172-110(68-26-40-82-152)131(187)166-116(74-32-46-88-158)137(193)180-124(96-103-58-16-5-17-59-103)144(200)173-111(69-27-41-83-153)132(188)167-117(75-33-47-89-159)138(194)181-125(97-104-60-18-6-19-61-104)145(201)174-112(70-28-42-84-154)133(189)168-118(76-34-48-90-160)139(195)182-126(98-105-62-20-7-21-63-105)146(202)175-119(147(203)204)77-35-49-91-161/h1-21,50-63,106-126H,22-49,64-98,148-162H2,(H,163,184)(H,164,185)(H,165,186)(H,166,187)(H,167,188)(H,168,189)(H,169,196)(H,170,197)(H,171,198)(H,172,199)(H,173,200)(H,174,201)(H,175,202)(H,176,183)(H,177,190)(H,178,191)(H,179,192)(H,180,193)(H,181,194)(H,182,195)(H,203,204)/t106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-/m0/s1
- InChIKey
- BCWJZOHDSWYXHL-AKYMETJVSA-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)-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]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2841.8261 | 274.5 |
[M+Na]+ | 2863.8080 | 257.8 |
[M-H]- | 2839.8115 | 274.1 |
[M+NH4]+ | 2858.8526 | 264.0 |
[M+K]+ | 2879.7820 | 261.2 |
[M+H-H2O]+ | 2823.8161 | 253.6 |
[M+HCOO]- | 2885.8170 | 262.0 |
[M+CH3COO]- | 2899.8327 | 262.0 |
[M+Na-2H]- | 2861.7935 | 300.3 |
[M]+ | 2840.8183 | 211.6 |
[M]- | 2840.8193 | 211.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.