CID 484127

Ksl2

Structural Information

Molecular Formula
C67H108N16O10
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)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](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C67H108N16O10/c1-43(2)56(83-67(93)57(44(3)4)82-62(88)52(34-18-23-39-72)76-59(85)48(73)30-14-19-35-68)66(92)81-55(42-47-28-12-7-13-29-47)65(91)78-51(33-17-22-38-71)61(87)80-54(41-46-26-10-6-11-27-46)64(90)77-50(32-16-21-37-70)60(86)79-53(40-45-24-8-5-9-25-45)63(89)75-49(58(74)84)31-15-20-36-69/h5-13,24-29,43-44,48-57H,14-23,30-42,68-73H2,1-4H3,(H2,74,84)(H,75,89)(H,76,85)(H,77,90)(H,78,91)(H,79,86)(H,80,87)(H,81,92)(H,82,88)(H,83,93)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
InChIKey
ZXKMLUVODMGYKV-UHLSBEBOSA-N
Compound name
(2S)-2,6-diamino-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

1296.8434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1297.8507 350.8
[M+Na]+ 1319.8326 341.9
[M-H]- 1295.8361 358.1
[M+NH4]+ 1314.8772 350.7
[M+K]+ 1335.8066 343.9
[M+H-H2O]+ 1279.8407 322.3
[M+HCOO]- 1341.8416 348.4
[M+CH3COO]- 1355.8573 348.3
[M+Na-2H]- 1317.8181 400.9
[M]+ 1296.8429 382.0
[M]- 1296.8439 382.0
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.