CID 461991

1-cyclohexyl-5(s)-2,5-bis[2-n-(methoxycarbonyl)-n-methyl[l-valinyl]amino]-4(s)-hydroxy-6-phenyl-2-azahexane

Structural Information

Molecular Formula
C33H55N5O7
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)OC)O)N(C)C(=O)OC
InChI
InChI=1S/C33H55N5O7/c1-22(2)28(36(5)32(42)44-7)30(40)34-26(19-24-15-11-9-12-16-24)27(39)21-38(20-25-17-13-10-14-18-25)35-31(41)29(23(3)4)37(6)33(43)45-8/h9,11-12,15-16,22-23,25-29,39H,10,13-14,17-21H2,1-8H3,(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1
InChIKey
HKYDOFDFNOBMQB-DZUOILHNSA-N
Compound name
methyl N-[(2S)-1-[2-(cyclohexylmethyl)-2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[methoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-4-phenylbutyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

633.41016 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.41744 243.8
[M+Na]+ 656.39938 265.4
[M-H]- 632.40288 261.8
[M+NH4]+ 651.44398 265.3
[M+K]+ 672.37332 258.5
[M+H-H2O]+ 616.40742 244.8
[M+HCOO]- 678.40836 232.4
[M+CH3COO]- 692.42401 287.0
[M+Na-2H]- 654.38483 239.6
[M]+ 633.40961 237.2
[M]- 633.41071 237.2
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.