CID 16186108

L-k-k-l-l-k-k-l-l-k-k-l-l-k-k-l-l-k-k-l-l-k-k-l

Structural Information

Molecular Formula
C144H278N36O25
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI
InChI=1S/C144H278N36O25/c1-85(2)73-97(157)121(181)158-98(49-25-37-61-145)122(182)159-104(55-31-43-67-151)128(188)170-115(79-91(13)14)139(199)175-110(74-86(3)4)134(194)165-99(50-26-38-62-146)123(183)160-105(56-32-44-68-152)129(189)171-116(80-92(15)16)140(200)176-111(75-87(5)6)135(195)166-100(51-27-39-63-147)124(184)161-106(57-33-45-69-153)130(190)172-117(81-93(17)18)141(201)177-112(76-88(7)8)136(196)167-101(52-28-40-64-148)125(185)162-107(58-34-46-70-154)131(191)173-118(82-94(19)20)142(202)178-113(77-89(9)10)137(197)168-102(53-29-41-65-149)126(186)163-108(59-35-47-71-155)132(192)174-119(83-95(21)22)143(203)179-114(78-90(11)12)138(198)169-103(54-30-42-66-150)127(187)164-109(60-36-48-72-156)133(193)180-120(144(204)205)84-96(23)24/h85-120H,25-84,145-157H2,1-24H3,(H,158,181)(H,159,182)(H,160,183)(H,161,184)(H,162,185)(H,163,186)(H,164,187)(H,165,194)(H,166,195)(H,167,196)(H,168,197)(H,169,198)(H,170,188)(H,171,189)(H,172,190)(H,173,191)(H,174,192)(H,175,199)(H,176,200)(H,177,201)(H,178,202)(H,179,203)(H,180,193)(H,204,205)/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-/m0/s1
InChIKey
QAWAPECRWKEHAW-GFRZXUJISA-N
Compound name
(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)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2912.159 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2913.1663 481.2
[M+Na]+ 2935.1482 460.1
[M-H]- 2911.1517 476.5
[M+NH4]+ 2930.1928 465.9
[M+K]+ 2951.1222 458.6
[M+H-H2O]+ 2895.1563 458.2
[M+HCOO]- 2957.1572 459.1
[M+CH3COO]- 2971.1729 454.0
[M+Na-2H]- 2933.1337 474.6
[M]+ 2912.1585 406.5
[M]- 2912.1595 406.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.