CID 471369

Qc-val-sta-leu-phe-nh2

Structural Information

Molecular Formula
C38H52N6O6
SMILES
CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)O)NC(=O)[C@H](C(C)C)NC(=O)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C38H52N6O6/c1-22(2)18-29(42-38(50)34(24(5)6)44-36(48)28-17-16-26-14-10-11-15-27(26)40-28)32(45)21-33(46)41-31(19-23(3)4)37(49)43-30(35(39)47)20-25-12-8-7-9-13-25/h7-17,22-24,29-32,34,45H,18-21H2,1-6H3,(H2,39,47)(H,41,46)(H,42,50)(H,43,49)(H,44,48)/t29-,30-,31-,32-,34-/m0/s1
InChIKey
ZVGXFOHTICHRQV-JOBLXHLTSA-N
Compound name
N-[(2S)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

688.39484 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.40212 264.0
[M+Na]+ 711.38406 261.7
[M-H]- 687.38756 262.9
[M+NH4]+ 706.42866 262.9
[M+K]+ 727.35800 257.2
[M+H-H2O]+ 671.39210 253.6
[M+HCOO]- 733.39304 263.8
[M+CH3COO]- 747.40869 293.7
[M+Na-2H]- 709.36951 291.9
[M]+ 688.39429 305.8
[M]- 688.39539 305.8
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.