CID 472285

Tfa.h-val-val-.beta.-homophe-phe-val-val-nh2

Structural Information

Molecular Formula
C39H59N7O6
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)N
InChI
InChI=1S/C39H59N7O6/c1-22(2)31(40)37(50)46-33(24(5)6)38(51)42-28(19-26-15-11-9-12-16-26)21-30(47)43-29(20-27-17-13-10-14-18-27)36(49)45-34(25(7)8)39(52)44-32(23(3)4)35(41)48/h9-18,22-25,28-29,31-34H,19-21,40H2,1-8H3,(H2,41,48)(H,42,51)(H,43,47)(H,44,52)(H,45,49)(H,46,50)/t28-,29-,31-,32-,33-,34-/m0/s1
InChIKey
FTVLNAHFLQPJNN-CWTHLKHWSA-N
Compound name
(2S)-2-amino-N-[(2S)-1-[[(2S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

721.4527 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 722.45998 274.0
[M+Na]+ 744.44192 275.0
[M-H]- 720.44542 281.1
[M+NH4]+ 739.48652 278.6
[M+K]+ 760.41586 268.4
[M+H-H2O]+ 704.44996 251.4
[M+HCOO]- 766.45090 278.9
[M+CH3COO]- 780.46655 306.5
[M+Na-2H]- 742.42737 314.4
[M]+ 721.45215 326.0
[M]- 721.45325 326.1
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.