CID 461976

Bdbm210

Structural Information

Molecular Formula
C34H57N5O8
SMILES
CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)OCCOC)O
InChI
InChI=1S/C34H57N5O8/c1-7-46-33(43)36-29(23(2)3)31(41)35-27(20-25-14-10-8-11-15-25)28(40)22-39(21-26-16-12-9-13-17-26)38-32(42)30(24(4)5)37-34(44)47-19-18-45-6/h8,10-11,14-15,23-24,26-30,40H,7,9,12-13,16-22H2,1-6H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)/t27-,28-,29-,30-/m0/s1
InChIKey
SMVHNFHQIVWIBA-KRCBVYEFSA-N
Compound name
2-methoxyethyl N-[(2S)-1-[2-(cyclohexylmethyl)-2-[(2S,3S)-3-[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

663.4207 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.42798 248.9
[M+Na]+ 686.40992 267.0
[M-H]- 662.41342 263.6
[M+NH4]+ 681.45452 263.7
[M+K]+ 702.38386 259.4
[M+H-H2O]+ 646.41796 253.7
[M+HCOO]- 708.41890 238.1
[M+CH3COO]- 722.43455 286.4
[M+Na-2H]- 684.39537 241.0
[M]+ 663.42015 239.6
[M]- 663.42125 239.6
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.