CID 15954687

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

Structural Information

Molecular Formula
C108H209N27O19
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C108H209N27O19/c1-64(2)55-73(118)91(136)119-74(37-19-28-46-109)92(137)128-83(56-65(3)4)100(145)120-75(38-20-29-47-110)93(138)129-84(57-66(5)6)101(146)121-76(39-21-30-48-111)94(139)130-85(58-67(7)8)102(147)122-77(40-22-31-49-112)95(140)131-86(59-68(9)10)103(148)123-78(41-23-32-50-113)96(141)132-87(60-69(11)12)104(149)124-79(42-24-33-51-114)97(142)133-88(61-70(13)14)105(150)125-80(43-25-34-52-115)98(143)134-89(62-71(15)16)106(151)126-81(44-26-35-53-116)99(144)135-90(63-72(17)18)107(152)127-82(108(153)154)45-27-36-54-117/h64-90H,19-63,109-118H2,1-18H3,(H,119,136)(H,120,145)(H,121,146)(H,122,147)(H,123,148)(H,124,149)(H,125,150)(H,126,151)(H,127,152)(H,128,137)(H,129,138)(H,130,139)(H,131,140)(H,132,141)(H,133,142)(H,134,143)(H,135,144)(H,153,154)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m0/s1
InChIKey
WKNXPQUCHHBDFS-QGEFWYEOSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2188.6218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2189.6291 446.8
[M+Na]+ 2211.6110 422.2
[M-H]- 2187.6145 447.6
[M+NH4]+ 2206.6556 433.4
[M+K]+ 2227.5850 424.0
[M+H-H2O]+ 2171.6191 416.9
[M+HCOO]- 2233.6200 427.8
[M+CH3COO]- 2247.6357 424.2
[M+Na-2H]- 2209.5965 468.3
[M]+ 2188.6213 388.1
[M]- 2188.6223 388.1
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.