CID 455736

Dec-rakr-psi[ch2nh]-flgf-nh2

Structural Information

Molecular Formula
C54H98N16O8
SMILES
CCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N
InChI
InChI=1S/C54H98N16O8/c1-7-8-9-10-11-12-16-26-45(71)67-40(25-20-29-62-54(59)60)50(76)65-37(6)48(74)69-41(24-17-18-27-55)51(77)66-39(23-19-28-61-53(57)58)33-63-43(32-38-21-14-13-15-22-38)52(78)70-44(31-36(4)5)49(75)64-34-46(72)68-42(47(56)73)30-35(2)3/h13-15,21-22,35-37,39-44,63H,7-12,16-20,23-34,55H2,1-6H3,(H2,56,73)(H,64,75)(H,65,76)(H,66,77)(H,67,71)(H,68,72)(H,69,74)(H,70,78)(H4,57,58,61)(H4,59,60,62)/t37-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey
ZVCKCSXXRSTONQ-JBNHEJHRSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)pentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

1098.7754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1099.7827 325.5
[M+Na]+ 1121.7646 316.6
[M-H]- 1097.7681 330.0
[M+NH4]+ 1116.8092 325.4
[M+K]+ 1137.7386 319.4
[M+H-H2O]+ 1081.7727 300.9
[M+HCOO]- 1143.7736 323.8
[M+CH3COO]- 1157.7893 324.6
[M+Na-2H]- 1119.7501 375.2
[M]+ 1098.7749 358.7
[M]- 1098.7759 358.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.