CID 162814703

N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-n-methylpyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C60H96N8O9
SMILES
CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)C)N(C)C(=O)C4CCCN4C(=O)C(C)N(C)C(=O)C(C)CC(C)CCCCC=C
InChI
InChI=1S/C60H96N8O9/c1-17-18-19-21-27-41(8)36-42(9)53(70)61(12)43(10)54(71)67-34-25-31-47(67)55(72)63(14)51(39(4)5)59(76)65(16)52(40(6)7)60(77)64(15)50(38(2)3)58(75)62(13)49(37-45-28-22-20-23-29-45)57(74)68-35-26-32-48(68)56(73)66-33-24-30-46(66)44(11)69/h17,20,22-23,28-29,38-43,46-52H,1,18-19,21,24-27,30-37H2,2-16H3
InChIKey
TUXBGEXEMQTLAI-UHFFFAOYSA-N
Compound name
N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1072.73 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1073.7373 318.3
[M+Na]+ 1095.7192 317.7
[M-H]- 1071.7227 330.2
[M+NH4]+ 1090.7638 322.9
[M+K]+ 1111.6932 310.1
[M+H-H2O]+ 1055.7273 293.7
[M+HCOO]- 1117.7282 322.0
[M+CH3COO]- 1131.7439 356.4
[M+Na-2H]- 1093.7047 347.5
[M]+ 1072.7295 371.5
[M]- 1072.7305 371.5
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.